5-Amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1017788-67-8- Standard SMILES
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C(=O)O)c1N- InChIKey
PHAJFTBZXLATEM-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O2
- Average molar mass
- 293.75 g/mol
- Monoisotopic mass
- 293.0931045
Names & identifiers
- Preferred name
- 5-Amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carboxylic acid
Names & synonyms
DTXSID2011381595-amino-1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid5-Amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid5-Amino-3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylic acid1017788-67-8
Database identifiers
- CAS
1017788-67-8- PubChem CID
- 129011297
- DTXSID
DTXSID201138159
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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