3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide

C15H11BrN4O — CID 107518369

IUPAC3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncccc1Br
InChIInChI=1S/C15H11BrN4O/c16-12-5-2-7-17-14(12)15(21)19-11-4-1-3-10(9-11)13-6-8-18-20-13/h1-9H,(H,18,20)(H,19,21)
InChIKeyMAFDEJHTOJBZBZ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.49
Rot. Bonds3

About 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide

3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide (PubChem CID 107518369) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
PubChem CID107518369
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncccc1Br
InChIInChI=1S/C15H11BrN4O/c16-12-5-2-7-17-14(12)15(21)19-11-4-1-3-10(9-11)13-6-8-18-20-13/h1-9H,(H,18,20)(H,19,21)
InChIKeyMAFDEJHTOJBZBZ-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

5-fluoro-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 146075209
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 106753513
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
N-[3-(2-aminoethoxy)phenyl]-3-bromopyridine-2-carboxamide
CID 107519972
4-pyrazol-1-yl-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 37044281
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide (CID 107518369) is 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is MAFDEJHTOJBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-12-5-2-7-17-14(12)15(21)19-11-4-1-3-10(9-11)13-6-8-18-20-13/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide?
3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-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 3-bromo-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).