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

C15H24N2O — CID 64772251

IUPAC1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-8-14(16-17)10-15(18)13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyFSYPVSWODNSBIL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.40
Rot. Bonds4

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

1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 64772251) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID64772251
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-8-14(16-17)10-15(18)13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyFSYPVSWODNSBIL-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 65402570
1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116568846
1-(2-methyloxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975728
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116604079
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116575965
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 64772251) is 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC1CCC(C(=O)Cc2ccn(C(C)C)n2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is FSYPVSWODNSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-9-8-14(16-17)10-15(18)13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 64772251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).