Basic information
- Standard SMILES
COC(=O)c1ccc(Cn2cc(C#N)c(N)n2)cc1- InChIKey
HLYWMAXBWLZFNU-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
Names & identifiers
- Preferred name
- 4-(3-Amino-4-cyano-pyrazol-1-ylmethyl)-benzoic acid methyl ester
- IUPAC
- methyl 4-[(3-amino-4-cyanopyrazol-1-yl)methyl]benzoate
Names & synonyms
SCHEMBL211061HLYWMAXBWLZFNU-UHFFFAOYSA-N4-(3-Amino-4-cyano-pyrazol-1-ylmethyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 66622281
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
6 records
Compound notes
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