Isopyrazam
fo-52b426a56a50fc7f
Identity
- Type
- Neutral molecule
- CAS
- 881685-58-1
- EC
- 632-619-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
8- 1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-N-[1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-
- 3-(difluoromethyl)-1-methyl-N-(1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl)-1H-pyrazole-4-carboxamide
- 3-(Difluoromethyl)-1-methyl-N-[1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide
- 3-(difluoromethyl)-1-methyl-N-[1,2,3,4-tetrahydro-9-(propan-2-yl)-1,4-methanonaphthalen-5-yl]-1H-pyrazole-4-carboxamide
- 3-(difluoromethyl)-1-methyl-n-[11-(propan-2-yl)tricyclo[6.2.1.0²,⁷]undeca-2(7),3,5-trien-3-yl]-1h-pyrazole-4-carboxamide
- 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methyl-1H-pyrazole-4-carboxamide
- N-[1,2,3,4-Tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazol-4-carboxamide
- N-[1,2,3,4-Tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XTDZGXBTXBEZDN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26) |
| IUPAC name chemrof:IUPAC_name | 3-(difluoromethyl)-1-methyl-N-(1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl)-1H-pyrazole-4-carboxamide |
| Molecular formula chemrof:molecular_formula | C20H23F2N3O |
| Molecular mass chemrof:molecular_mass | 359.413, 359.42 |
| Monoisotopic mass chemrof:monoisotopic_mass | 359.180919, 359.18092 |
| SMILES string chemrof:smiles_string | CC(C)C1C2CCC1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12 |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=881685-58-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83126 | enrich_references.chebi_id_link |
| pesticides | pesticides:isopyrazam | enrich_references.chebi_xrefs |
| reaxys | reaxys:11323757 | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| af21df06-23a9-4736-90bf-8da7c57f2dbc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 29ac0a60-fa41-47ca-a302-7e53af9af4c7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| e1ea2135-9670-4172-bca8-54fccccbf58e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d1b19cc2-f54d-4482-ba65-f0824fb8a5a1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fd8471db-b2d4-4bee-be33-7b300406861f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 96f20cd6-3d23-43a0-8138-794e2d867bd2 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4dbf224c-8ebd-42a4-adc9-99fb4afdba6c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 84efd846-d39e-4c19-ab6a-be2115a9081b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 10ae7feac405a9f90a4dc902cee65d56d3f71e9b | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 7a6fb559-88a3-4813-ab61-807505d454d2 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| df21b024-cfb8-46a3-968d-24431912bfa2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9853e9bd-f7fe-4514-a135-ce7fd75bea55 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ccfba594-8c83-48e4-a61c-212f8d7c7502 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 78bd1aae-e006-4e5f-91ab-6d85de10bf85 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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"@value": "A diastereoisomeric mixture consisting of the two possible anti-isomers as well as the two possible syn-isomers of isopyrazam. A persisent and broad spectrum fungicide used for the control of Septoria tritici, rusts and other diseases in cereals and some other crops.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_83126"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
"rdfs:label": "fungicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works