N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide

C8H11N5O2S — CID 115750920

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cn[nH]c2)c1C
InChIInChI=1S/C8H11N5O2S/c1-5-6(2)11-12-8(5)13-16(14,15)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)(H2,11,12,13)
InChIKeyXRPOQVOQENUPTF-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.55
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 115750920) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID115750920
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cn[nH]c2)c1C
InChIInChI=1S/C8H11N5O2S/c1-5-6(2)11-12-8(5)13-16(14,15)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)(H2,11,12,13)
InChIKeyXRPOQVOQENUPTF-UHFFFAOYSA-N
XLogP0.55
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 115750900
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 65480577
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 47267596
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide (CID 115750920) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cn[nH]c2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XRPOQVOQENUPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-5-6(2)11-12-8(5)13-16(14,15)7-3-9-10-4-7/h3-4H,1-2H3,(H,9,10)(H2,11,12,13).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115750920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).