5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C9H16N4O4S2 — CID 113484535

IUPAC5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)S(C)=O)c1S(N)(=O)=O
InChIInChI=1S/C9H16N4O4S2/c1-5(18(3)15)4-11-9(14)7-8(19(10,16)17)6(2)12-13-7/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H2,10,16,17)
InChIKeyFMGTVPGVBHLCPW-UHFFFAOYSA-N
MW308.39 g/mol
LogP-1.14
Rot. Bonds5

About 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 113484535) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID113484535
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC(C)S(C)=O)c1S(N)(=O)=O
InChIInChI=1S/C9H16N4O4S2/c1-5(18(3)15)4-11-9(14)7-8(19(10,16)17)6(2)12-13-7/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H2,10,16,17)
InChIKeyFMGTVPGVBHLCPW-UHFFFAOYSA-N
XLogP-1.14
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-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

5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
5-methyl-N-(2-methylpentan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388989
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387608
butan-2-yl 5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65382029
5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 65386761
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106219411
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 113484535) is 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC(C)S(C)=O)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is FMGTVPGVBHLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-5(18(3)15)4-11-9(14)7-8(19(10,16)17)6(2)12-13-7/h5H,4H2,1-3H3,(H,11,14)(H,12,13)(H2,10,16,17).
What are the key properties of 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113484535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).