1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C16H27N3O — CID 79066115

IUPAC1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)C2(N(C)C)CCCCC2)n(C)n1
InChIInChI=1S/C16H27N3O/c1-5-13-11-14(19(4)17-13)12-15(20)16(18(2)3)9-7-6-8-10-16/h11H,5-10,12H2,1-4H3
InChIKeyTVXFLZQZBZGHPL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 79066115) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID79066115
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)C2(N(C)C)CCCCC2)n(C)n1
InChIInChI=1S/C16H27N3O/c1-5-13-11-14(19(4)17-13)12-15(20)16(18(2)3)9-7-6-8-10-16/h11H,5-10,12H2,1-4H3
InChIKeyTVXFLZQZBZGHPL-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 79066115) is 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)C2(N(C)C)CCCCC2)n(C)n1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is TVXFLZQZBZGHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-13-11-14(19(4)17-13)12-15(20)16(18(2)3)9-7-6-8-10-16/h11H,5-10,12H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 79066115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).