4-cyclohexyl-1H-pyrazole-5-carboxylic acid

C10H14N2O2 — CID 82372850

IUPAC4-cyclohexyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeyHDAIKVXRCYBTSG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.16
Rot. Bonds2

About 4-cyclohexyl-1H-pyrazole-5-carboxylic acid

4-cyclohexyl-1H-pyrazole-5-carboxylic acid (PubChem CID 82372850) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-cyclohexyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-1H-pyrazole-5-carboxylic acid
PubChem CID82372850
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-cyclohexyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeyHDAIKVXRCYBTSG-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-1H-pyrazole-5-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 4-cyclohexyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclohexyl-1H-pyrazole-5-carboxylic acid (CID 82372850) is 4-cyclohexyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is HDAIKVXRCYBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 4-cyclohexyl-1H-pyrazole-5-carboxylic acid?
4-cyclohexyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82372850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).