N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide

C26H25N3O — CID 19281297

IUPACN-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O/c1-3-24(20-16-14-19(2)15-17-20)27-26(30)23-18-29(22-12-8-5-9-13-22)28-25(23)21-10-6-4-7-11-21/h4-18,24H,3H2,1-2H3,(H,27,30)
InChIKeyJYUOSQYDRHYCMX-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.73
Rot. Bonds6

About N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide

N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281297) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281297
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H25N3O/c1-3-24(20-16-14-19(2)15-17-20)27-26(30)23-18-29(22-12-8-5-9-13-22)28-25(23)21-10-6-4-7-11-21/h4-18,24H,3H2,1-2H3,(H,27,30)
InChIKeyJYUOSQYDRHYCMX-UHFFFAOYSA-N
XLogP5.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281297) is N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide is CCC(NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JYUOSQYDRHYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-24(20-16-14-19(2)15-17-20)27-26(30)23-18-29(22-12-8-5-9-13-22)28-25(23)21-10-6-4-7-11-21/h4-18,24H,3H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).