5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

C17H16N4O2 — CID 25098140

IUPAC5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-5-7-13(10-11)19-16(22)15-12(2)20-21(17(15)23)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22)
InChIKeyUXNMAPQFIJNUSB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.43
Rot. Bonds3

About 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 25098140) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID25098140
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-6-5-7-13(10-11)19-16(22)15-12(2)20-21(17(15)23)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22)
InChIKeyUXNMAPQFIJNUSB-UHFFFAOYSA-N
XLogP2.43
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 25098140) is 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(C)[nH]n(-c3ccccn3)c2=O)c1.
What is the InChIKey of 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is UXNMAPQFIJNUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-6-5-7-13(10-11)19-16(22)15-12(2)20-21(17(15)23)14-8-3-4-9-18-14/h3-10,20H,1-2H3,(H,19,22).
What are the key properties of 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25098140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).