5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide

C19H19N3O — CID 5015294

IUPAC5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)13-20-19(23)18-12-15(2)21-22(18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeySVYCJEHKAGDQLZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds4

About 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide

5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 5015294) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide
PubChem CID5015294
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)13-20-19(23)18-12-15(2)21-22(18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeySVYCJEHKAGDQLZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide (CID 5015294) is 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide?
The InChIKey is SVYCJEHKAGDQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-8-10-16(11-9-14)13-20-19(23)18-12-15(2)21-22(18)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide?
5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylphenyl)methyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5015294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).