1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one

C14H22N2O2 — CID 103457452

IUPAC1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
SMILESCc1cc(CC(=O)C(O)C2CCCCC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-10-8-12(16(2)15-10)9-13(17)14(18)11-6-4-3-5-7-11/h8,11,14,18H,3-7,9H2,1-2H3
InChIKeyZHSDLDNFUQTTIL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one

1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one (PubChem CID 103457452) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
PubChem CID103457452
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
SMILESCc1cc(CC(=O)C(O)C2CCCCC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-10-8-12(16(2)15-10)9-13(17)14(18)11-6-4-3-5-7-11/h8,11,14,18H,3-7,9H2,1-2H3
InChIKeyZHSDLDNFUQTTIL-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116586028
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
CID 116707502
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one (CID 103457452) is 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one is Cc1cc(CC(=O)C(O)C2CCCCC2)n(C)n1.
What is the InChIKey of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one?
The InChIKey is ZHSDLDNFUQTTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-12(16(2)15-10)9-13(17)14(18)11-6-4-3-5-7-11/h8,11,14,18H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one?
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one is sourced from PubChem (CID 103457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).