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

C19H28N4O2S — CID 110259804

IUPAC1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C2CCCCN2S(=O)(=O)Cc2ccccc2)nn1C
InChIInChI=1S/C19H28N4O2S/c1-21(2)14-17-13-18(20-22(17)3)19-11-7-8-12-23(19)26(24,25)15-16-9-5-4-6-10-16/h4-6,9-10,13,19H,7-8,11-12,14-15H2,1-3H3
InChIKeyYKCGMZBHGPXDQE-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.54
Rot. Bonds6

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

1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 110259804) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
PubChem CID110259804
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C2CCCCN2S(=O)(=O)Cc2ccccc2)nn1C
InChIInChI=1S/C19H28N4O2S/c1-21(2)14-17-13-18(20-22(17)3)19-11-7-8-12-23(19)26(24,25)15-16-9-5-4-6-10-16/h4-6,9-10,13,19H,7-8,11-12,14-15H2,1-3H3
InChIKeyYKCGMZBHGPXDQE-UHFFFAOYSA-N
XLogP2.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine (CID 110259804) is 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1cc(C2CCCCN2S(=O)(=O)Cc2ccccc2)nn1C.
What is the InChIKey of 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is YKCGMZBHGPXDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-21(2)14-17-13-18(20-22(17)3)19-11-7-8-12-23(19)26(24,25)15-16-9-5-4-6-10-16/h4-6,9-10,13,19H,7-8,11-12,14-15H2,1-3H3.
What are the key properties of 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine?
1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 376.53 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzylsulfonylpiperidin-2-yl)-1-methylpyrazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 110259804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).