Basic information
- Standard SMILES
O=C(Nc1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O- InChIKey
DPKQYJNYMKJPAI-UHFFFAOYSA-N- Molecular formula
- C27H22N4O3
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.16919058
Names & identifiers
- Preferred name
- 5-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazole-1-carboxamide
- IUPAC
- 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
Names & synonyms
SCHEMBL3587257DPKQYJNYMKJPAI-UHFFFAOYSA-N5-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazole-1-carboxamide
Database identifiers
- PubChem CID
- 24964301
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
Related reactions
2 records
Compound notes
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