2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid

C9H6N4O4 — CID 84796755

IUPAC2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nccc(C(=O)O)n2)c1
InChIInChI=1S/C9H6N4O4/c14-7(15)5-3-11-13(4-5)9-10-2-1-6(12-9)8(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyJEGQUMCZXBOMQW-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.06
Rot. Bonds3

About 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid

2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 84796755) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
PubChem CID84796755
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nccc(C(=O)O)n2)c1
InChIInChI=1S/C9H6N4O4/c14-7(15)5-3-11-13(4-5)9-10-2-1-6(12-9)8(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyJEGQUMCZXBOMQW-UHFFFAOYSA-N
XLogP0.06
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 143457959
1-quinazolin-2-ylpyrazole-4-carboxylic acid
CID 114789671
1-(2-methylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 62770775
2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 141444808
2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84785997
1-(3-fluoro-4-formyl-2-pyridinyl)pyrazole-4-carboxylic acid
CID 165460662
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
5-amino-6-(4-carbamoylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 114408305
2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine-4-carboxylic acid
CID 107554600
1-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 53415770
N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide
CID 136907056
1-[6-(aminomethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 84785980

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid (CID 84796755) is 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid is O=C(O)c1cnn(-c2nccc(C(=O)O)n2)c1.
What is the InChIKey of 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is JEGQUMCZXBOMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c14-7(15)5-3-11-13(4-5)9-10-2-1-6(12-9)8(16)17/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid?
2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 234.17 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 84796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).