1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol

C13H22N2O — CID 64737522

IUPAC1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCCn1cc(C2(O)CC(C)CC(C)C2)cn1
InChIInChI=1S/C13H22N2O/c1-4-15-9-12(8-14-15)13(16)6-10(2)5-11(3)7-13/h8-11,16H,4-7H2,1-3H3
InChIKeyYTVMHBNSMUFUOY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds2

About 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol

1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64737522) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64737522
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCCn1cc(C2(O)CC(C)CC(C)C2)cn1
InChIInChI=1S/C13H22N2O/c1-4-15-9-12(8-14-15)13(16)6-10(2)5-11(3)7-13/h8-11,16H,4-7H2,1-3H3
InChIKeyYTVMHBNSMUFUOY-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964852
1-cyclopropyl-3-(1-ethylpyrazol-4-yl)pyrrolidin-3-ol
CID 62975249
3-methyl-1-(1-methylpyrazol-4-yl)cyclopentan-1-ol
CID 64513375
9-oxo-3-(1-propylpyrazol-4-yl)-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171958253
1-(1-ethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856639
3-[(1-ethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63585891
(1-ethylpyrazol-4-yl)-(2-methylcyclopropyl)methanol
CID 65420163
4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
CID 112563242
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705361
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
1-methyl-4-(1-propylpyrazol-4-yl)azepan-4-ol
CID 65075339

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol (CID 64737522) is 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol is CCn1cc(C2(O)CC(C)CC(C)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is YTVMHBNSMUFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15-9-12(8-14-15)13(16)6-10(2)5-11(3)7-13/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol?
1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64737522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).