1-pyrazol-1-ylcyclopentane-1-carboxylic acid

C9H12N2O2 — CID 82235102

IUPAC1-pyrazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCCC1
InChIInChI=1S/C9H12N2O2/c12-8(13)9(4-1-2-5-9)11-7-3-6-10-11/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyKOWOSSQJZVHRRY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.24
Rot. Bonds2

About 1-pyrazol-1-ylcyclopentane-1-carboxylic acid

1-pyrazol-1-ylcyclopentane-1-carboxylic acid (PubChem CID 82235102) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-pyrazol-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrazol-1-ylcyclopentane-1-carboxylic acid
PubChem CID82235102
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-pyrazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCCC1
InChIInChI=1S/C9H12N2O2/c12-8(13)9(4-1-2-5-9)11-7-3-6-10-11/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyKOWOSSQJZVHRRY-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyrazol-1-ylcyclopentane-1-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 1-pyrazol-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-pyrazol-1-ylcyclopentane-1-carboxylic acid (CID 82235102) is 1-pyrazol-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-pyrazol-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-pyrazol-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(n2cccn2)CCCC1.
What is the InChIKey of 1-pyrazol-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is KOWOSSQJZVHRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8(13)9(4-1-2-5-9)11-7-3-6-10-11/h3,6-7H,1-2,4-5H2,(H,12,13).
What are the key properties of 1-pyrazol-1-ylcyclopentane-1-carboxylic acid?
1-pyrazol-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82235102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).