5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide

C16H13FN4O — CID 154693101

IUPAC5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22)
InChIKeyGQWQQPCPLZBGRQ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.79
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide

5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 154693101) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
PubChem CID154693101
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22)
InChIKeyGQWQQPCPLZBGRQ-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide (CID 154693101) is 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccccn1)c1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GQWQQPCPLZBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-6-4-11(5-7-12)9-13-10-14(21-20-13)16(22)19-15-3-1-2-8-18-15/h1-8,10H,9H2,(H,20,21)(H,18,19,22).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide?
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154693101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).