4-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1423029-57-5- Standard SMILES
CC(C)Cn1cc(C(F)F)c(C(=O)O)n1- InChIKey
QGCMTOXSXOEFLD-UHFFFAOYSA-N- Molecular formula
- C9H12F2N2O2
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.08668395
Names & identifiers
- Preferred name
- 4-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-(difluoromethyl)-1-(2-methylpropyl)pyrazole-3-carboxylic acid
Names & synonyms
4-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid1423029-57-54-(DIFLUOROMETHYL)-1-(2-METHYLPROPYL)PYRAZOLE-3-CARBOXYLIC ACIDDTXSID601157624AKOS026729858CS-0224864EN300-1215234-(difluoromethyl)-1-isobutyl-pyrazole-3-carboxylic acid4-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-3-carboxylicacid1H-Pyrazole-3-carboxylic acid, 4-(difluoromethyl)-1-(2-methylpropyl)-
Database identifiers
- CAS
1423029-57-5- PubChem CID
- 71757589
- DTXSID
DTXSID601157624
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…