4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide

C17H16N4O — CID 663966

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-12-11-13(2)21(20-12)15-8-6-14(7-9-15)17(22)19-16-5-3-4-10-18-16/h3-11H,1-2H3,(H,18,19,22)
InChIKeyQURYAEWFPIFUHJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.14
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide (PubChem CID 663966) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide
PubChem CID663966
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-12-11-13(2)21(20-12)15-8-6-14(7-9-15)17(22)19-16-5-3-4-10-18-16/h3-11H,1-2H3,(H,18,19,22)
InChIKeyQURYAEWFPIFUHJ-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Aminobenzamidopyridine
CID 81976
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
Jnk-IN-2
CID 57340680
N-(2-(dimethylamino)ethyl)-2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 24780352
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563111
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
N-(2,6-dimethylphenyl)-4-[(5-methyl-4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 72725631
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
Benzamide, 4-(acetylamino)-N-2-pyridinyl-
CID 215925
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide (CID 663966) is 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide?
The InChIKey is QURYAEWFPIFUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-11-13(2)21(20-12)15-8-6-14(7-9-15)17(22)19-16-5-3-4-10-18-16/h3-11H,1-2H3,(H,18,19,22).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 663966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).