1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone

C15H22N2O — CID 106797108

IUPAC1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H22N2O/c1-12(18)15(8-9-15)11-13-7-10-17(16-13)14-5-3-2-4-6-14/h7,10,14H,2-6,8-9,11H2,1H3
InChIKeyYSQYISYMTJIZBW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds4

About 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone (PubChem CID 106797108) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
PubChem CID106797108
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C15H22N2O/c1-12(18)15(8-9-15)11-13-7-10-17(16-13)14-5-3-2-4-6-14/h7,10,14H,2-6,8-9,11H2,1H3
InChIKeyYSQYISYMTJIZBW-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783654
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone (CID 106797108) is 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone is CC(=O)C1(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone?
The InChIKey is YSQYISYMTJIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(18)15(8-9-15)11-13-7-10-17(16-13)14-5-3-2-4-6-14/h7,10,14H,2-6,8-9,11H2,1H3.
What are the key properties of 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone?
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 106797108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).