1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol

C17H28N2O — CID 115780530

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)C2CCC3CCCCC3C2)cn1
InChIInChI=1S/C17H28N2O/c1-2-19-12-13(11-18-19)9-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h11-12,14-17,20H,2-10H2,1H3
InChIKeyQMBAQQVLFPQYDM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.41
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 115780530) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID115780530
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)C2CCC3CCCCC3C2)cn1
InChIInChI=1S/C17H28N2O/c1-2-19-12-13(11-18-19)9-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h11-12,14-17,20H,2-10H2,1H3
InChIKeyQMBAQQVLFPQYDM-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol with MolForge

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopropyl)ethanol
CID 65420821
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
CID 107192051
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822637
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 65392490
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol (CID 115780530) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)C2CCC3CCCCC3C2)cn1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is QMBAQQVLFPQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-19-12-13(11-18-19)9-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h11-12,14-17,20H,2-10H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).