1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one

C17H29N3O — CID 79052000

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccn(C2CCCCC2)n1)N(C)C
InChIInChI=1S/C17H29N3O/c1-5-17(2,19(3)4)16(21)13-14-11-12-20(18-14)15-9-7-6-8-10-15/h11-12,15H,5-10,13H2,1-4H3
InChIKeyJIVINYRPONGCBM-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one

1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one (PubChem CID 79052000) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
PubChem CID79052000
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one
SMILESCCC(C)(C(=O)Cc1ccn(C2CCCCC2)n1)N(C)C
InChIInChI=1S/C17H29N3O/c1-5-17(2,19(3)4)16(21)13-14-11-12-20(18-14)15-9-7-6-8-10-15/h11-12,15H,5-10,13H2,1-4H3
InChIKeyJIVINYRPONGCBM-UHFFFAOYSA-N
XLogP3.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one (CID 79052000) is 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one is CCC(C)(C(=O)Cc1ccn(C2CCCCC2)n1)N(C)C.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one?
The InChIKey is JIVINYRPONGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-17(2,19(3)4)16(21)13-14-11-12-20(18-14)15-9-7-6-8-10-15/h11-12,15H,5-10,13H2,1-4H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-(dimethylamino)-3-methylpentan-2-one is sourced from PubChem (CID 79052000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).