1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide

C15H20N4O3S — CID 154780893

IUPAC1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)cnn2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-11-8-18-19(3)14(11)15(20)17-9-12-4-6-13(7-5-12)10-23(21,22)16-2/h4-8,16H,9-10H2,1-3H3,(H,17,20)
InChIKeyFYVGAPRKRHAYNF-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.71
Rot. Bonds6

About 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide

1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 154780893) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID154780893
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)cnn2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-11-8-18-19(3)14(11)15(20)17-9-12-4-6-13(7-5-12)10-23(21,22)16-2/h4-8,16H,9-10H2,1-3H3,(H,17,20)
InChIKeyFYVGAPRKRHAYNF-UHFFFAOYSA-N
XLogP0.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide 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

2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881896
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55794321
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
N-[(3-bromo-5-methoxyphenyl)methyl]-1,4-dimethylpyrazole-5-carboxamide
CID 138024349
1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38123381
2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 29288985
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 154780893) is 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2c(C)cnn2C)cc1.
What is the InChIKey of 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is FYVGAPRKRHAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-8-18-19(3)14(11)15(20)17-9-12-4-6-13(7-5-12)10-23(21,22)16-2/h4-8,16H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide?
1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 154780893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).