2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

C17H28N2O — CID 82869673

IUPAC2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCn1ccc(CC2(O)CCCCC2C2CCCCC2)n1
InChIInChI=1S/C17H28N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h10,12,14,16,20H,2-9,11,13H2,1H3
InChIKeyFMHWGCHPJRWLQU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.46
Rot. Bonds3

About 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 82869673) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID82869673
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCn1ccc(CC2(O)CCCCC2C2CCCCC2)n1
InChIInChI=1S/C17H28N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h10,12,14,16,20H,2-9,11,13H2,1H3
InChIKeyFMHWGCHPJRWLQU-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
2-cyclohexyl-1-ethylcyclohexan-1-ol
CID 43809276
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 82869673) is 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is Cn1ccc(CC2(O)CCCCC2C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is FMHWGCHPJRWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-12-10-15(18-19)13-17(20)11-6-5-9-16(17)14-7-3-2-4-8-14/h10,12,14,16,20H,2-9,11,13H2,1H3.
What are the key properties of 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 82869673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).