1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C18H30N2O — CID 114975639

IUPAC1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C18H30N2O/c1-4-5-6-15-7-9-16(10-8-15)18(21)13-17-11-12-20(19-17)14(2)3/h11-12,14-16H,4-10,13H2,1-3H3
InChIKeyMFCFXCGQIPOKMZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.57
Rot. Bonds7

About 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114975639) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114975639
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C18H30N2O/c1-4-5-6-15-7-9-16(10-8-15)18(21)13-17-11-12-20(19-17)14(2)3/h11-12,14-16H,4-10,13H2,1-3H3
InChIKeyMFCFXCGQIPOKMZ-UHFFFAOYSA-N
XLogP4.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(propan-2-yl)-1H-pyrazol-3-yl]propan-2-one
CID 64773329
(2R)-N-cyclohexyl-2-(2-methylpyrazol-3-yl)-N-propan-2-ylpropanamide
CID 164638360
2-Propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]heptan-1-one
CID 134578236
4-Methyl-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pentan-3-one
CID 146261650
4-[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclohexan-1-one
CID 168907097
1-[4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanone
CID 170099025
2-[1-(1,1-Difluoroethyl)pyrazol-3-yl]-5-(dimethylaminomethylidene)-2-methylcyclopentan-1-one
CID 170741104
2-[1-(1,1-Difluoroethyl)pyrazol-3-yl]-2-methylcyclopentan-1-one
CID 170741180
1-(3-Fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64770999
4,4,4-Trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 64771355
1-(3,5-Difluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64771357
1-(2-Fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64771533

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 114975639) is 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CCCCC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is MFCFXCGQIPOKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-6-15-7-9-16(10-8-15)18(21)13-17-11-12-20(19-17)14(2)3/h11-12,14-16H,4-10,13H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 290.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114975639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).