1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid

C13H10N4O2 — CID 139488387

IUPAC1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C13H10N4O2/c18-13(19)10-6-16-17(8-10)7-9-1-2-11-12(5-9)15-4-3-14-11/h1-6,8H,7H2,(H,18,19)
InChIKeyHAJWYZPJJJDNBK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.57
Rot. Bonds3

About 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid

1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid (PubChem CID 139488387) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid
PubChem CID139488387
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc3nccnc3c2)c1
InChIInChI=1S/C13H10N4O2/c18-13(19)10-6-16-17(8-10)7-9-1-2-11-12(5-9)15-4-3-14-11/h1-6,8H,7H2,(H,18,19)
InChIKeyHAJWYZPJJJDNBK-UHFFFAOYSA-N
XLogP1.57
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(quinolin-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 28811187
1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-quinolinyl)-
CID 3053678
5-methyl-1-(quinolin-8-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 43142054
1-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid hydrochloride
CID 71756061
N-methyl-1-propan-2-yl-N-(quinoxalin-6-ylmethyl)pyrazole-4-carboxamide
CID 70712165
1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 54593071
1-[5-Cyano-6-(2-fluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
CID 86300749
1-[5-Cyano-6-(2,5-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
CID 86300878
1-[5-Cyano-6-(2,3-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
CID 86300879
1-[5-Cyano-6-(2,4-difluorophenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
CID 86301021
1-Quinoxalin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 134610207
1-(1,7-Naphthyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 134610224

Frequently Asked Questions

What is the IUPAC name of 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid (CID 139488387) is 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2ccc3nccnc3c2)c1.
What is the InChIKey of 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is HAJWYZPJJJDNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)10-6-16-17(8-10)7-9-1-2-11-12(5-9)15-4-3-14-11/h1-6,8H,7H2,(H,18,19).
What are the key properties of 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid?
1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoxalin-6-ylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 139488387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).