N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C21H22N4O2 — CID 110336464

IUPACN-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)ccc3C)n(C)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-14(2)18(10-13)20-12-19(24-25(20)4)21(27)23-17-7-5-6-16(11-17)22-15(3)26/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeyAFQOXPAKWBZMQV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.91
Rot. Bonds4

About N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336464) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336464
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)ccc3C)n(C)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-9-14(2)18(10-13)20-12-19(24-25(20)4)21(27)23-17-7-5-6-16(11-17)22-15(3)26/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeyAFQOXPAKWBZMQV-UHFFFAOYSA-N
XLogP3.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-(2,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336739
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
5-(2,5-dimethylphenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336452
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
[5-(2,5-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336445
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
5-(2-fluoro-5-methylphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110336624
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 110336464) is N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)ccc3C)n(C)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AFQOXPAKWBZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-9-14(2)18(10-13)20-12-19(24-25(20)4)21(27)23-17-7-5-6-16(11-17)22-15(3)26/h5-12H,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).