2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

C14H22N2O3 — CID 117124442

IUPAC2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C14H22N2O3/c1-9(2)13-11(8-12(17)18)14(19)16(15-13)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyKICWHFREANSJBW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (PubChem CID 117124442) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
PubChem CID117124442
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCC(C)c1[nH]n(C2CCCCC2)c(=O)c1CC(=O)O
InChIInChI=1S/C14H22N2O3/c1-9(2)13-11(8-12(17)18)14(19)16(15-13)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyKICWHFREANSJBW-UHFFFAOYSA-N
XLogP2.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)butanoic acid
CID 66881197
2-[3-(1-Methylpiperidin-4-yl)-5-oxo-1,2-dihydropyrazol-4-yl]acetic acid
CID 84081813
2-[3-oxo-2,5-di(propan-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 84081834
2-(2-cyclopropyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081835
2-(2-cyclopropyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081838
2-(2-cyclobutyl-5-methyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081839
2-(5-ethyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081843
2-(2-cyclopropyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081844
2-(2-cyclobutyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081845
2-(2-cyclopentyl-5-ethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 84081846
2-(5-cyclopropyl-3-oxo-2-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081848

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (CID 117124442) is 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is CC(C)c1[nH]n(C2CCCCC2)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is KICWHFREANSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)13-11(8-12(17)18)14(19)16(15-13)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 117124442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).