(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one

C13H20N2O — CID 134967919

IUPAC(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
SMILESC[C@H](CC1CCCCC1)C(=O)n1cccn1
InChIInChI=1S/C13H20N2O/c1-11(10-12-6-3-2-4-7-12)13(16)15-9-5-8-14-15/h5,8-9,11-12H,2-4,6-7,10H2,1H3/t11-/m1/s1
InChIKeyIQEGLAFGFUPQRO-LLVKDONJSA-N
MW220.32 g/mol
LogP3.13
Rot. Bonds3

About (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one

(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one (PubChem CID 134967919) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
PubChem CID134967919
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
SMILESC[C@H](CC1CCCCC1)C(=O)n1cccn1
InChIInChI=1S/C13H20N2O/c1-11(10-12-6-3-2-4-7-12)13(16)15-9-5-8-14-15/h5,8-9,11-12H,2-4,6-7,10H2,1H3/t11-/m1/s1
InChIKeyIQEGLAFGFUPQRO-LLVKDONJSA-N
XLogP3.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-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

N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
1-(4-Propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 49064900
1-(1-adamantylacetyl)-1H-pyrazole
CID 2970441
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethanone
CID 52906688
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-cyclopentylethanone
CID 52907327
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxamide
CID 72846778
N-methyl-N-(4-methylcyclohexyl)-2-pyrazol-1-ylacetamide
CID 45805440
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 51727993
(1S*,2R*)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 133548122
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 45804609
1-Pyrazol-1-yldecan-1-one
CID 3713508
1-(1H-Pyrazol-1-yl)octan-1-one
CID 4581609

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one (CID 134967919) is (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one is C[C@H](CC1CCCCC1)C(=O)n1cccn1.
What is the InChIKey of (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one?
The InChIKey is IQEGLAFGFUPQRO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(10-12-6-3-2-4-7-12)13(16)15-9-5-8-14-15/h5,8-9,11-12H,2-4,6-7,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one?
(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one has a molecular weight of 220.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 134967919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).