2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

C16H13FN4O — CID 118716967

IUPAC2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccnc3F)n[nH]2)cc1
InChIInChI=1S/C16H13FN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyIFEKWSHYCFBBRW-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.17
Rot. Bonds3

About 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide

2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 118716967) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID118716967
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccnc3F)n[nH]2)cc1
InChIInChI=1S/C16H13FN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22)
InChIKeyIFEKWSHYCFBBRW-UHFFFAOYSA-N
XLogP3.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 118716967) is 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cccnc3F)n[nH]2)cc1.
What is the InChIKey of 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is IFEKWSHYCFBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-10-4-6-11(7-5-10)13-9-14(21-20-13)19-16(22)12-3-2-8-18-15(12)17/h2-9H,1H3,(H2,19,20,21,22).
What are the key properties of 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118716967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).