5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid

C10H14N2O3 — CID 82394911

IUPAC5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(C2CCOCC2)n1
InChIInChI=1S/C10H14N2O3/c1-7-6-9(10(13)14)12(11-7)8-2-4-15-5-3-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyXIIASWIZJSTFQH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.24
Rot. Bonds2

About 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid

5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid (PubChem CID 82394911) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid
PubChem CID82394911
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(C2CCOCC2)n1
InChIInChI=1S/C10H14N2O3/c1-7-6-9(10(13)14)12(11-7)8-2-4-15-5-3-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKeyXIIASWIZJSTFQH-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(oxan-4-yl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid (CID 82394911) is 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(C2CCOCC2)n1.
What is the InChIKey of 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is XIIASWIZJSTFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-9(10(13)14)12(11-7)8-2-4-15-5-3-8/h6,8H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid?
5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82394911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).