1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone

C14H22N2O — CID 82868647

IUPAC1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCC1CCCC(C(=O)Cc2ccn(C)n2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)14(17)10-13-7-8-16(2)15-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeySOCHAPDOFJILPJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82868647) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82868647
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCC1CCCC(C(=O)Cc2ccn(C)n2)C1
InChIInChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)14(17)10-13-7-8-16(2)15-13/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeySOCHAPDOFJILPJ-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 82868647) is 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone is CCC1CCCC(C(=O)Cc2ccn(C)n2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is SOCHAPDOFJILPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11-5-4-6-12(9-11)14(17)10-13-7-8-16(2)15-13/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82868647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).