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1247851-96-2 | 3,5-DIMETHYL-1-(PROPAN-2-YL)-1H-PYRAZOLE-4-SULFONAMIDE
CAS No: 1247851-96-2 Catalog No: AG01B2XD MDL No:MFCD14658023
Product Description
Catalog Number:
AG01B2XD
Chemical Name:
3,5-DIMETHYL-1-(PROPAN-2-YL)-1H-PYRAZOLE-4-SULFONAMIDE
CAS Number:
1247851-96-2
Molecular Formula:
C8H15N3O2S
Molecular Weight:
217.2886
MDL Number:
MFCD14658023
IUPAC Name:
3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
InChI:
InChI=1S/C8H15N3O2S/c1-5(2)11-7(4)8(6(3)10-11)14(9,12)13/h5H,1-4H3,(H2,9,12,13)
InChI Key:
MAOMQBBBQRWULQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)N)C)C(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.287g/mol
Monoisotopic Mass:
217.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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