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

C16H14N4O — CID 167971745

IUPACN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O/c1-11-5-7-12(8-6-11)14-10-15(20-19-14)18-16(21)13-4-2-3-9-17-13/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyGJVKIKYUZVHARJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds3

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

N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 167971745) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID167971745
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O/c1-11-5-7-12(8-6-11)14-10-15(20-19-14)18-16(21)13-4-2-3-9-17-13/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyGJVKIKYUZVHARJ-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-(4-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 115630183

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide (CID 167971745) is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide is Cc1ccc(-c2cc(NC(=O)c3ccccn3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is GJVKIKYUZVHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-5-7-12(8-6-11)14-10-15(20-19-14)18-16(21)13-4-2-3-9-17-13/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167971745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).