1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol

C13H22N2O — CID 106830819

IUPAC1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2(C)CCCCC2)cn1
InChIInChI=1S/C13H22N2O/c1-13(6-4-3-5-7-13)12(16)8-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyCQRUBEOFYMFZOO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds3

About 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 106830819) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID106830819
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2(C)CCCCC2)cn1
InChIInChI=1S/C13H22N2O/c1-13(6-4-3-5-7-13)12(16)8-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyCQRUBEOFYMFZOO-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

1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
CID 106830809
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
[1-(2-methyloxolan-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105250841
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 106830819) is 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)C2(C)CCCCC2)cn1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is CQRUBEOFYMFZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(6-4-3-5-7-13)12(16)8-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol 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 1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 106830819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).