cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol

C16H28N2O — CID 66778407

IUPACcyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol
SMILESCCC(C)(C)n1cc(C(O)C2CCCCC2)c(C)n1
InChIInChI=1S/C16H28N2O/c1-5-16(3,4)18-11-14(12(2)17-18)15(19)13-9-7-6-8-10-13/h11,13,15,19H,5-10H2,1-4H3
InChIKeyKVXPWGXMGURZEL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.95
Rot. Bonds4

About cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol

cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol (PubChem CID 66778407) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol
PubChem CID66778407
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Namecyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol
SMILESCCC(C)(C)n1cc(C(O)C2CCCCC2)c(C)n1
InChIInChI=1S/C16H28N2O/c1-5-16(3,4)18-11-14(12(2)17-18)15(19)13-9-7-6-8-10-13/h11,13,15,19H,5-10H2,1-4H3
InChIKeyKVXPWGXMGURZEL-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-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 cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol (CID 66778407) is cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol is CCC(C)(C)n1cc(C(O)C2CCCCC2)c(C)n1.
What is the InChIKey of cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol?
The InChIKey is KVXPWGXMGURZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(3,4)18-11-14(12(2)17-18)15(19)13-9-7-6-8-10-13/h11,13,15,19H,5-10H2,1-4H3.
What are the key properties of cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol?
cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol has a molecular weight of 264.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-methyl-1-(2-methylbutan-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66778407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).