1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

C14H22N2O — CID 104751125

IUPAC1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCc1nn(CC(=O)C2CCCCC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-11(2)15-16(12(10)3)9-14(17)13-7-5-4-6-8-13/h13H,4-9H2,1-3H3
InChIKeyZZDSPSUIXDEORE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 104751125) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID104751125
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCc1nn(CC(=O)C2CCCCC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-10-11(2)15-16(12(10)3)9-14(17)13-7-5-4-6-8-13/h13H,4-9H2,1-3H3
InChIKeyZZDSPSUIXDEORE-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 110226445
1-cyclobutyl-2-(4,5-dimethylimidazol-1-yl)ethanone
CID 131025389
2-(4-chloro-3-methylpyrazol-1-yl)-1-cyclohexylethanone
CID 104751490
2-(2-cyclopentyl-2-oxoethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
CID 104751304
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
N-[(1R,2S)-2-(cyclohexylamino)cyclobutyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 133123132
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
3-(2-cyclopentyl-2-oxoethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 115648591
N-[(3R)-1-(pyrrolidine-1-carbonyl)azepan-3-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 96571195
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanone
CID 115919041
1-cyclopentyl-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
CID 113448415
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 104751125) is 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is Cc1nn(CC(=O)C2CCCCC2)c(C)c1C.
What is the InChIKey of 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is ZZDSPSUIXDEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-11(2)15-16(12(10)3)9-14(17)13-7-5-4-6-8-13/h13H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 104751125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).