N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide

C25H22N4O2 — CID 55784527

IUPACN-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C
InChIInChI=1S/C25H22N4O2/c1-17-13-14-20(15-23(17)26-18(2)30)27-25(31)22-16-29(21-11-7-4-8-12-21)28-24(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyOGSUWNGRXAMKPP-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.06
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide

N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 55784527) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID55784527
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C
InChIInChI=1S/C25H22N4O2/c1-17-13-14-20(15-23(17)26-18(2)30)27-25(31)22-16-29(21-11-7-4-8-12-21)28-24(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,30)(H,27,31)
InChIKeyOGSUWNGRXAMKPP-UHFFFAOYSA-N
XLogP5.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 55784527) is N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is CC(=O)Nc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is OGSUWNGRXAMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-13-14-20(15-23(17)26-18(2)30)27-25(31)22-16-29(21-11-7-4-8-12-21)28-24(22)19-9-5-3-6-10-19/h3-16H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 55784527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).