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

C15H11BrN4O — CID 118716971

IUPAC5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1cncc(Br)c1
InChIInChI=1S/C15H11BrN4O/c16-12-6-11(8-17-9-12)15(21)18-14-7-13(19-20-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)
InChIKeyLJVHVZOAFRFJPP-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.49
Rot. Bonds3

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

5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 118716971) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID118716971
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)[nH]n1)c1cncc(Br)c1
InChIInChI=1S/C15H11BrN4O/c16-12-6-11(8-17-9-12)15(21)18-14-7-13(19-20-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)
InChIKeyLJVHVZOAFRFJPP-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-[(2-chlorobenzoyl)amino]-N-4-pyridinyl-1H-pyrazole-3-carboxamide
CID 11373520
2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11681507
2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11716968
1H-Pyrazole-3-carboxamide, 5-phenyl-N-2-pyridinyl-
CID 1859668
2-bromo-N-(1-phenylpyrazol-3-yl)benzamide
CID 5071220
N-(6-methyl-3-pyridinoyl)-1,3-diphenyl-5-amino-1H-pyrazole
CID 11617333
4-bromo-N-(4-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53601325
2-chloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716966
2-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716967
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716969
2-fluoro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716973
2-chloro-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 118716971) is 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is LJVHVZOAFRFJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-12-6-11(8-17-9-12)15(21)18-14-7-13(19-20-14)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21).
What are the key properties of 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 118716971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).