Basic information
- Standard SMILES
Cc1nn(-c2cccnc2)c(-c2cccc(Cl)c2)c1CC(=O)O- InChIKey
JZIJZTLBQDDAMA-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O2
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- [5-(3-Chlorophenyl)-3-methyl-1-pyridin-3-yl-1H-pyrazol-4-yl]acetic acid
- IUPAC
- 2-[5-(3-chlorophenyl)-3-methyl-1-pyridin-3-ylpyrazol-4-yl]acetic acid
Names & synonyms
SCHEMBL4156010JZIJZTLBQDDAMA-UHFFFAOYSA-N[5-(3-Chlorophenyl)-3-methyl-1-pyridin-3-yl-1H-pyrazol-4-yl]acetic acid
Database identifiers
- PubChem CID
- 68935003
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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