N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide

C19H18N4O2 — CID 110336197

IUPACN-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)20-15-8-10-16(11-9-15)21-19(25)17-12-18(23(2)22-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,21,25)
InChIKeyRVSPKRBCMHHEMN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.30
Rot. Bonds4

About N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide

N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 110336197) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID110336197
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)20-15-8-10-16(11-9-15)21-19(25)17-12-18(23(2)22-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,21,25)
InChIKeyRVSPKRBCMHHEMN-UHFFFAOYSA-N
XLogP3.30
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336464
N-(3-acetamidophenyl)-5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336739
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide (CID 110336197) is N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is RVSPKRBCMHHEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(24)20-15-8-10-16(11-9-15)21-19(25)17-12-18(23(2)22-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide?
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110336197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).