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

C13H22N2O — CID 103005702

IUPAC3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CCc2ccnn2C)C1
InChIInChI=1S/C13H22N2O/c1-11-4-3-7-13(16,10-11)8-5-12-6-9-14-15(12)2/h6,9,11,16H,3-5,7-8,10H2,1-2H3
InChIKeyAMTWCHJRIIACDE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds3

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

3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 103005702) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
PubChem CID103005702
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CCc2ccnn2C)C1
InChIInChI=1S/C13H22N2O/c1-11-4-3-7-13(16,10-11)8-5-12-6-9-14-15(12)2/h6,9,11,16H,3-5,7-8,10H2,1-2H3
InChIKeyAMTWCHJRIIACDE-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
1-(1-methoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012543
3-methyl-1-[[(2-propylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 114555849
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
[1-(1-ethoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027135
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (CID 103005702) is 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is CC1CCCC(O)(CCc2ccnn2C)C1.
What is the InChIKey of 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is AMTWCHJRIIACDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-4-3-7-13(16,10-11)8-5-12-6-9-14-15(12)2/h6,9,11,16H,3-5,7-8,10H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 103005702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).