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

C15H19N3O — CID 664135

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)16-15(19)13-5-7-14(8-6-13)18-12(4)9-11(3)17-18/h5-10H,1-4H3,(H,16,19)
InChIKeyPHBAVNSDHPUMDY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds3

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

4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide (PubChem CID 664135) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide
PubChem CID664135
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)16-15(19)13-5-7-14(8-6-13)18-12(4)9-11(3)17-18/h5-10H,1-4H3,(H,16,19)
InChIKeyPHBAVNSDHPUMDY-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 945544
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide (CID 664135) is 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)NC(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is PHBAVNSDHPUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)16-15(19)13-5-7-14(8-6-13)18-12(4)9-11(3)17-18/h5-10H,1-4H3,(H,16,19).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 664135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).