1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide

C18H26N4O2S — CID 56914966

IUPAC1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCN1CCC(N(CCc2ccccc2)S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H26N4O2S/c1-20-11-9-17(10-12-20)22(13-8-16-6-4-3-5-7-16)25(23,24)18-14-19-21(2)15-18/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyRUTUKUGGDMODDZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.75
Rot. Bonds6

About 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide

1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 56914966) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID56914966
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCN1CCC(N(CCc2ccccc2)S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C18H26N4O2S/c1-20-11-9-17(10-12-20)22(13-8-16-6-4-3-5-7-16)25(23,24)18-14-19-21(2)15-18/h3-7,14-15,17H,8-13H2,1-2H3
InChIKeyRUTUKUGGDMODDZ-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(2-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6468378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 56914966) is 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide is CN1CCC(N(CCc2ccccc2)S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is RUTUKUGGDMODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-20-11-9-17(10-12-20)22(13-8-16-6-4-3-5-7-16)25(23,24)18-14-19-21(2)15-18/h3-7,14-15,17H,8-13H2,1-2H3.
What are the key properties of 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 56914966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).