3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide

C16H13FN4O — CID 71859005

IUPAC3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1ccncc1F
InChIInChI=1S/C16H13FN4O/c1-11-9-19-21(12-5-3-2-4-6-12)15(11)20-16(22)13-7-8-18-10-14(13)17/h2-10H,1H3,(H,20,22)
InChIKeyFGAIGQBBKHONLU-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide

3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide (PubChem CID 71859005) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
PubChem CID71859005
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
SMILESCc1cnn(-c2ccccc2)c1NC(=O)c1ccncc1F
InChIInChI=1S/C16H13FN4O/c1-11-9-19-21(12-5-3-2-4-6-12)15(11)20-16(22)13-7-8-18-10-14(13)17/h2-10H,1H3,(H,20,22)
InChIKeyFGAIGQBBKHONLU-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468500
3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468504
N-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-fluoropyridine-4-carboxamide
CID 79500482
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 5184412
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide (CID 71859005) is 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide is Cc1cnn(-c2ccccc2)c1NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is FGAIGQBBKHONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-9-19-21(12-5-3-2-4-6-12)15(11)20-16(22)13-7-8-18-10-14(13)17/h2-10H,1H3,(H,20,22).
What are the key properties of 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide?
3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 71859005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).