5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide

C18H17N3O — CID 20861281

IUPAC5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13-8-6-7-11-16(13)19-18(22)17-12-14(2)20-21(17)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,19,22)
InChIKeyMKLFITUVXILBDU-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide

5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide (PubChem CID 20861281) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide
PubChem CID20861281
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-13-8-6-7-11-16(13)19-18(22)17-12-14(2)20-21(17)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,19,22)
InChIKeyMKLFITUVXILBDU-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide (CID 20861281) is 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2C)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide?
The InChIKey is MKLFITUVXILBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-8-6-7-11-16(13)19-18(22)17-12-14(2)20-21(17)15-9-4-3-5-10-15/h3-12H,1-2H3,(H,19,22).
What are the key properties of 5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-carboxamide?
5-methyl-N-(2-methylphenyl)-2-phenylpyrazole-3-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)-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).