N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

C19H19N3O — CID 20861289

IUPACN-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O/c1-13-9-10-16(11-14(13)2)20-19(23)18-12-15(3)21-22(18)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,20,23)
InChIKeyDQFCFOHSRPHNHV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 20861289) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID20861289
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O/c1-13-9-10-16(11-14(13)2)20-19(23)18-12-15(3)21-22(18)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,20,23)
InChIKeyDQFCFOHSRPHNHV-UHFFFAOYSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11049038
2-(3-carbamimidoylphenyl)-N-[4-(2-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10597827
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 10623965
FXa-IN-1
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1-methyl-N-(1-naphthyl)-3-propyl-1H-pyrazole-5-carboxamide
CID 850765
N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-(2,3-dihydro-1H-inden-5-yl)-1-ethylpyrazole-3-carboxamide
CID 4342282
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
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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
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3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9824122

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (CID 20861289) is N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is DQFCFOHSRPHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-9-10-16(11-14(13)2)20-19(23)18-12-15(3)21-22(18)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).