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1251037-85-0 | 3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CAS No: 1251037-85-0 Catalog No: AG01A6PC MDL No:MFCD14657994
Product Description
Catalog Number:
AG01A6PC
Chemical Name:
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CAS Number:
1251037-85-0
Molecular Formula:
C9H17N3O2S
Molecular Weight:
231.3152
MDL Number:
MFCD14657994
IUPAC Name:
3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
InChI:
InChI=1S/C9H17N3O2S/c1-6(2)5-12-8(4)9(7(3)11-12)15(10,13)14/h6H,5H2,1-4H3,(H2,10,13,14)
InChI Key:
FBBBZMMEXIGBNS-UHFFFAOYSA-N
SMILES:
CC(Cn1nc(c(c1C)S(=O)(=O)N)C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.314g/mol
Monoisotopic Mass:
231.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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