Basic information
- CAS
957514-17-9- Standard SMILES
COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccn2)cc1OC- InChIKey
LSMBHJYJZQDTPG-UHFFFAOYSA-N- Molecular formula
- C20H19N5O3
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.14878949
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-2-pyridinyl-1H-pyrazole-4-carboxamide
- IUPAC
- 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
Names & synonyms
MLS001208559CHEMBL1704211DTXSID401134096HMS2815J07AKOS0005283021-(2-Cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-2-pyridinyl-1H-pyrazole-4-carboxamide957514-17-9SMR000524649Z1182575941-(2-Cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(pyridin-2-yl)-1H-pyrazole-4-carboxamide1-(2-Cyano-ethyl)-3-(3,4-dimethoxy-phenyl)-1H-pyrazole-4-carboxylic acid pyridin-2-ylamide
Database identifiers
- CAS
957514-17-9- PubChem CID
- 6483992
- DTXSID
DTXSID401134096- ChEMBL
CHEMBL1704211
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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