5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C18H17N3O — CID 850355

IUPAC5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C18H17N3O/c1-13-8-6-7-11-17(13)20-18(22)16-12-19-21(14(16)2)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,20,22)
InChIKeyMHRQSOFEDHQMIG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 850355) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID850355
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C18H17N3O/c1-13-8-6-7-11-17(13)20-18(22)16-12-19-21(14(16)2)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,20,22)
InChIKeyMHRQSOFEDHQMIG-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16095400
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Penflufen
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1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
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N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
2-phenyl-2H-indazole-7-carboxamide
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N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazophenyl)amide
CID 3091786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 850355) is 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MHRQSOFEDHQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-8-6-7-11-17(13)20-18(22)16-12-19-21(14(16)2)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,20,22).
What are the key properties of 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).