1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C18H30N2O — CID 103277497

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CC(C)=CC(C)C2)n1
InChIInChI=1S/C18H30N2O/c1-5-17(6-2)20-8-7-16(19-20)12-18(21)15-10-13(3)9-14(4)11-15/h7-9,13,15,17-18,21H,5-6,10-12H2,1-4H3
InChIKeyWADBQTAEDCJSAE-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.14
Rot. Bonds6

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 103277497) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID103277497
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CC(C)=CC(C)C2)n1
InChIInChI=1S/C18H30N2O/c1-5-17(6-2)20-8-7-16(19-20)12-18(21)15-10-13(3)9-14(4)11-15/h7-9,13,15,17-18,21H,5-6,10-12H2,1-4H3
InChIKeyWADBQTAEDCJSAE-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452462
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 79665523
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 103277497) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)C2CC(C)=CC(C)C2)n1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is WADBQTAEDCJSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-17(6-2)20-8-7-16(19-20)12-18(21)15-10-13(3)9-14(4)11-15/h7-9,13,15,17-18,21H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 290.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 103277497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).