2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone

C15H24N2O — CID 65423483

IUPAC2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
SMILESCCCC1CCC(C(=O)Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H24N2O/c1-3-4-12-5-7-14(8-6-12)15(18)9-13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3
InChIKeyFIHFRVQLBSALDM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone

2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone (PubChem CID 65423483) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
PubChem CID65423483
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
SMILESCCCC1CCC(C(=O)Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H24N2O/c1-3-4-12-5-7-14(8-6-12)15(18)9-13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3
InChIKeyFIHFRVQLBSALDM-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 65401293
1-(2,2-dimethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107186715
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107003822
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
2-(3-bromo-4-methoxyphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65423096
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone (CID 65423483) is 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone is CCCC1CCC(C(=O)Cc2cnn(C)c2)CC1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone?
The InChIKey is FIHFRVQLBSALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-12-5-7-14(8-6-12)15(18)9-13-10-16-17(2)11-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone?
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone is sourced from PubChem (CID 65423483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).