2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide

C15H13N3O3 — CID 6467183

IUPAC2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccnn3C)ccc12
InChIInChI=1S/C15H13N3O3/c1-9-7-14(19)21-13-8-10(3-4-11(9)13)17-15(20)12-5-6-16-18(12)2/h3-8H,1-2H3,(H,17,20)
InChIKeyHGLYYIUQGUXXHB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide

2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide (PubChem CID 6467183) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
PubChem CID6467183
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccnn3C)ccc12
InChIInChI=1S/C15H13N3O3/c1-9-7-14(19)21-13-8-10(3-4-11(9)13)17-15(20)12-5-6-16-18(12)2/h3-8H,1-2H3,(H,17,20)
InChIKeyHGLYYIUQGUXXHB-UHFFFAOYSA-N
XLogP2.09
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-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 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide (CID 6467183) is 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3ccnn3C)ccc12.
What is the InChIKey of 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The InChIKey is HGLYYIUQGUXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-7-14(19)21-13-8-10(3-4-11(9)13)17-15(20)12-5-6-16-18(12)2/h3-8H,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 6467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).