4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid

C7H5N3O4 — CID 96622892

IUPAC4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2cnoc2)c1O
InChIInChI=1S/C7H5N3O4/c11-6-4(3-1-8-14-2-3)9-10-5(6)7(12)13/h1-2,11H,(H,9,10)(H,12,13)
InChIKeyATNOFFMWYSAUAS-UHFFFAOYSA-N
MW195.13 g/mol
LogP0.47
Rot. Bonds2

About 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid

4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 96622892) has the molecular formula C7H5N3O4 and a molecular weight of 195.13 g/mol. Its IUPAC name is 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID96622892
Molecular FormulaC7H5N3O4
Molecular Weight195.13 g/mol
Exact Mass195.03
IUPAC Name4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2cnoc2)c1O
InChIInChI=1S/C7H5N3O4/c11-6-4(3-1-8-14-2-3)9-10-5(6)7(12)13/h1-2,11H,(H,9,10)(H,12,13)
InChIKeyATNOFFMWYSAUAS-UHFFFAOYSA-N
XLogP0.47
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 96622892) is 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]nc(-c2cnoc2)c1O.
What is the InChIKey of 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ATNOFFMWYSAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4/c11-6-4(3-1-8-14-2-3)9-10-5(6)7(12)13/h1-2,11H,(H,9,10)(H,12,13).
What are the key properties of 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid?
4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 195.13 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1,2-oxazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 96622892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).