2-cyclopentylpyrazole-3-carboxylic acid

C9H12N2O2 — CID 19616724

IUPAC2-cyclopentylpyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCCC1
InChIInChI=1S/C9H12N2O2/c12-9(13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)
InChIKeyRCESRIZDABALBM-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.70
Rot. Bonds2

About 2-cyclopentylpyrazole-3-carboxylic acid

2-cyclopentylpyrazole-3-carboxylic acid (PubChem CID 19616724) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopentylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentylpyrazole-3-carboxylic acid
PubChem CID19616724
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopentylpyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C1CCCC1
InChIInChI=1S/C9H12N2O2/c12-9(13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)
InChIKeyRCESRIZDABALBM-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentylpyrazole-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 2-cyclopentylpyrazole-3-carboxylic acid?
The IUPAC name of 2-cyclopentylpyrazole-3-carboxylic acid (CID 19616724) is 2-cyclopentylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-cyclopentylpyrazole-3-carboxylic acid is O=C(O)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentylpyrazole-3-carboxylic acid?
The InChIKey is RCESRIZDABALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13).
What are the key properties of 2-cyclopentylpyrazole-3-carboxylic acid?
2-cyclopentylpyrazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19616724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).