N-benzyloxycarbonyl-5-aminomethyl-4-(4-pyridyl)-3-(4-fluorophenyl)pyrazole

HCID 69409299

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

Related reactions

6 records

Compound notes

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