Basic information
- Standard SMILES
NCc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C(=O)OCc1ccccc1- InChIKey
DBERQRVRUUJCCX-UHFFFAOYSA-N- Molecular formula
- C23H19FN4O2
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.14920402
Names & identifiers
- Preferred name
- N-benzyloxycarbonyl-5-aminomethyl-4-(4-pyridyl)-3-(4-fluorophenyl)pyrazole
- IUPAC
- benzyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazole-1-carboxylate
Names & synonyms
SCHEMBL5332018DBERQRVRUUJCCX-UHFFFAOYSA-NN-benzyloxycarbonyl-5-aminomethyl-4-(4-pyridyl)-3-(4-fluorophenyl)pyrazoleN-benzyloxycarbonyl-5-aminomethyl-4-(4-pyridyl)-3-(4-fluorophenyl) pyrazole
Database identifiers
- PubChem CID
- 69409299
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 545
Related reactions
6 records
Compound notes
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