1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine

C18H25ClN4O2S — CID 110259805

IUPAC1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C2CCCCN2S(=O)(=O)c2cccc(Cl)c2)nn1C
InChIInChI=1S/C18H25ClN4O2S/c1-21(2)13-15-12-17(20-22(15)3)18-9-4-5-10-23(18)26(24,25)16-8-6-7-14(19)11-16/h6-8,11-12,18H,4-5,9-10,13H2,1-3H3
InChIKeyVQZFFWCQZXZQMZ-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.05
Rot. Bonds5

About 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine

1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 110259805) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
PubChem CID110259805
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C2CCCCN2S(=O)(=O)c2cccc(Cl)c2)nn1C
InChIInChI=1S/C18H25ClN4O2S/c1-21(2)13-15-12-17(20-22(15)3)18-9-4-5-10-23(18)26(24,25)16-8-6-7-14(19)11-16/h6-8,11-12,18H,4-5,9-10,13H2,1-3H3
InChIKeyVQZFFWCQZXZQMZ-UHFFFAOYSA-N
XLogP3.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine 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

4-Chloro-N-[2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-benzenesulfonamide
CID 6499787
4-chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 8721869
4-(4-Chlorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550442
US9156811, Ddd90058
CID 117905415
N-(4-chlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 118027523
1-(2-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6468378
1-(4-Chlorophenyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
CID 6465421
1-(3-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6466144
3-chloro-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
CID 118512797
N-(4-Chlorophenyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 72550225
1-((5-Chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-(4 chlorobenzyl)piperidine
CID 72550668
N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 118027522

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (CID 110259805) is 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1cc(C2CCCCN2S(=O)(=O)c2cccc(Cl)c2)nn1C.
What is the InChIKey of 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is VQZFFWCQZXZQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-21(2)13-15-12-17(20-22(15)3)18-9-4-5-10-23(18)26(24,25)16-8-6-7-14(19)11-16/h6-8,11-12,18H,4-5,9-10,13H2,1-3H3.
What are the key properties of 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 396.94 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 110259805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).