1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

C14H22N2O2 — CID 64772759

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-9-6-12(15-16)10-14(13(17)18)7-4-3-5-8-14/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,18)
InChIKeyPRFWGXVOCXVJPL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.04
Rot. Bonds4

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 64772759) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID64772759
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-9-6-12(15-16)10-14(13(17)18)7-4-3-5-8-14/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,18)
InChIKeyPRFWGXVOCXVJPL-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-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-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (CID 64772759) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is CC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PRFWGXVOCXVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-9-6-12(15-16)10-14(13(17)18)7-4-3-5-8-14/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64772759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).