3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one

C14H22N2O — CID 114964350

IUPAC3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
SMILESCCn1cc(C(=O)CCC2CCCCC2)cn1
InChIInChI=1S/C14H22N2O/c1-2-16-11-13(10-15-16)14(17)9-8-12-6-4-3-5-7-12/h10-12H,2-9H2,1H3
InChIKeyHFVATVRKQRCLMG-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.45
Rot. Bonds5

About 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one

3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one (PubChem CID 114964350) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
PubChem CID114964350
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one
SMILESCCn1cc(C(=O)CCC2CCCCC2)cn1
InChIInChI=1S/C14H22N2O/c1-2-16-11-13(10-15-16)14(17)9-8-12-6-4-3-5-7-12/h10-12H,2-9H2,1H3
InChIKeyHFVATVRKQRCLMG-UHFFFAOYSA-N
XLogP3.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
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1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
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1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
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2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
6-amino-1-(1-ethylpyrazol-4-yl)hexan-1-one
CID 116549892
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
2-(1,1-dioxothiolan-3-yl)-1-(1-ethylpyrazol-4-yl)ethanone
CID 105083234
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one (CID 114964350) is 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one is CCn1cc(C(=O)CCC2CCCCC2)cn1.
What is the InChIKey of 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one?
The InChIKey is HFVATVRKQRCLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16-11-13(10-15-16)14(17)9-8-12-6-4-3-5-7-12/h10-12H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one?
3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-ethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 114964350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).