1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid

C13H10N4O2 — CID 117388457

IUPAC1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2nccnc2c1
InChIInChI=1S/C13H10N4O2/c1-17-12(7-11(16-17)13(18)19)8-2-3-9-10(6-8)15-5-4-14-9/h2-7H,1H3,(H,18,19)
InChIKeyIOSSNWVLGUUDOW-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.73
Rot. Bonds2

About 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid

1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid (PubChem CID 117388457) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
PubChem CID117388457
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1ccc2nccnc2c1
InChIInChI=1S/C13H10N4O2/c1-17-12(7-11(16-17)13(18)19)8-2-3-9-10(6-8)15-5-4-14-9/h2-7H,1H3,(H,18,19)
InChIKeyIOSSNWVLGUUDOW-UHFFFAOYSA-N
XLogP1.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117426099
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
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
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
1-methyl-5-(3-methyl-1,2-benzoxazol-6-yl)pyrazole-3-carboxylic acid
CID 117395895
1-methyl-5-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxylic acid
CID 117480854
5-(3-fluoro-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117419463
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989
5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459383
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid (CID 117388457) is 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1ccc2nccnc2c1.
What is the InChIKey of 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid?
The InChIKey is IOSSNWVLGUUDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-17-12(7-11(16-17)13(18)19)8-2-3-9-10(6-8)15-5-4-14-9/h2-7H,1H3,(H,18,19).
What are the key properties of 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid?
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117388457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).