5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid

C13H11N5O2 — CID 117426099

IUPAC5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2nc(N)cnc2c1
InChIInChI=1S/C13H11N5O2/c1-18-11(5-10(17-18)13(19)20)7-2-3-8-9(4-7)15-6-12(14)16-8/h2-6H,1H3,(H2,14,16)(H,19,20)
InChIKeyWPSVWYNYPAGSAS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.31
Rot. Bonds2

About 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid

5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117426099) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117426099
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2nc(N)cnc2c1
InChIInChI=1S/C13H11N5O2/c1-18-11(5-10(17-18)13(19)20)7-2-3-8-9(4-7)15-6-12(14)16-8/h2-6H,1H3,(H2,14,16)(H,19,20)
InChIKeyWPSVWYNYPAGSAS-UHFFFAOYSA-N
XLogP1.31
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117428884
5-(3-chloro-4-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 168912055
1-methyl-5-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxylic acid
CID 117480854
5-[3-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117419287
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989
5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid (CID 117426099) is 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccc2nc(N)cnc2c1.
What is the InChIKey of 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is WPSVWYNYPAGSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-18-11(5-10(17-18)13(19)20)7-2-3-8-9(4-7)15-6-12(14)16-8/h2-6H,1H3,(H2,14,16)(H,19,20).
What are the key properties of 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid?
5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117426099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).