2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

C15H11ClN4O — CID 118716974

IUPAC2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccnc1Cl
InChIInChI=1S/C15H11ClN4O/c16-14-11(7-4-8-17-14)15(21)18-13-9-12(19-20-13)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21)
InChIKeyRGXJUGRXYWZPEY-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 118716974) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID118716974
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccnc1Cl
InChIInChI=1S/C15H11ClN4O/c16-14-11(7-4-8-17-14)15(21)18-13-9-12(19-20-13)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21)
InChIKeyRGXJUGRXYWZPEY-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.38
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-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 118716974) is 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is RGXJUGRXYWZPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-14-11(7-4-8-17-14)15(21)18-13-9-12(19-20-13)10-5-2-1-3-6-10/h1-9H,(H2,18,19,20,21).
What are the key properties of 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118716974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).