3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide

C16H30N4O2S — CID 84600949

IUPAC3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C16H30N4O2S/c1-12(2)10-20-14(4)16(13(3)18-20)23(21,22)17-9-15-7-6-8-19(5)11-15/h12,15,17H,6-11H2,1-5H3
InChIKeyYZDRRJGDECGKEQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.78
Rot. Bonds6

About 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide

3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 84600949) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID84600949
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1CCCN(C)C1
InChIInChI=1S/C16H30N4O2S/c1-12(2)10-20-14(4)16(13(3)18-20)23(21,22)17-9-15-7-6-8-19(5)11-15/h12,15,17H,6-11H2,1-5H3
InChIKeyYZDRRJGDECGKEQ-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 84600949) is 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1CCCN(C)C1.
What is the InChIKey of 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is YZDRRJGDECGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-12(2)10-20-14(4)16(13(3)18-20)23(21,22)17-9-15-7-6-8-19(5)11-15/h12,15,17H,6-11H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide?
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 84600949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).