2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone

C17H27N3O — CID 116569543

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2ccn(C3CCCCC3)n2)CCCNC1
InChIInChI=1S/C17H27N3O/c1-17(9-5-10-18-13-17)16(21)12-14-8-11-20(19-14)15-6-3-2-4-7-15/h8,11,15,18H,2-7,9-10,12-13H2,1H3
InChIKeyQYQNIWDMEPFYRP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone (PubChem CID 116569543) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
PubChem CID116569543
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2ccn(C3CCCCC3)n2)CCCNC1
InChIInChI=1S/C17H27N3O/c1-17(9-5-10-18-13-17)16(21)12-14-8-11-20(19-14)15-6-3-2-4-7-15/h8,11,15,18H,2-7,9-10,12-13H2,1H3
InChIKeyQYQNIWDMEPFYRP-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601079
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783654
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568445
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-propylazepane
CID 79119222
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone (CID 116569543) is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone is CC1(C(=O)Cc2ccn(C3CCCCC3)n2)CCCNC1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone?
The InChIKey is QYQNIWDMEPFYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(9-5-10-18-13-17)16(21)12-14-8-11-20(19-14)15-6-3-2-4-7-15/h8,11,15,18H,2-7,9-10,12-13H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).