(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol

C13H21ClN2O — CID 61272606

IUPAC(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)c1nn(C2CCCCC2)c(Cl)c1CO
InChIInChI=1S/C13H21ClN2O/c1-9(2)12-11(8-17)13(14)16(15-12)10-6-4-3-5-7-10/h9-10,17H,3-8H2,1-2H3
InChIKeyGMNUSYWHMQRWPL-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.66
Rot. Bonds3

About (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol

(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 61272606) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol
PubChem CID61272606
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)c1nn(C2CCCCC2)c(Cl)c1CO
InChIInChI=1S/C13H21ClN2O/c1-9(2)12-11(8-17)13(14)16(15-12)10-6-4-3-5-7-10/h9-10,17H,3-8H2,1-2H3
InChIKeyGMNUSYWHMQRWPL-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol 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 (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol (CID 61272606) is (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol is CC(C)c1nn(C2CCCCC2)c(Cl)c1CO.
What is the InChIKey of (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is GMNUSYWHMQRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(2)12-11(8-17)13(14)16(15-12)10-6-4-3-5-7-10/h9-10,17H,3-8H2,1-2H3.
What are the key properties of (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol?
(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 256.78 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 61272606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).