N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide

C16H23N3O2S — CID 22202442

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C16H23N3O2S/c1-4-5-11-22(20,21)18-16-13(2)17-19(14(16)3)12-15-9-7-6-8-10-15/h6-10,18H,4-5,11-12H2,1-3H3
InChIKeyCWRHEENCPCXRLE-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.09
Rot. Bonds7

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide (PubChem CID 22202442) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
PubChem CID22202442
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C16H23N3O2S/c1-4-5-11-22(20,21)18-16-13(2)17-19(14(16)3)12-15-9-7-6-8-10-15/h6-10,18H,4-5,11-12H2,1-3H3
InChIKeyCWRHEENCPCXRLE-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide
CID 22201892
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-phenylmethanesulfonamide
CID 22205547
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
CID 22206180
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 22202423
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202444
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22205571
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide (CID 22202442) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
The InChIKey is CWRHEENCPCXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-5-11-22(20,21)18-16-13(2)17-19(14(16)3)12-15-9-7-6-8-10-15/h6-10,18H,4-5,11-12H2,1-3H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22202442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).