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1508813-00-0 | (1,5-dimethyl-1H-pyrazol-4-yl)methanesulfonamide
CAS No: 1508813-00-0 Catalog No: AG01B3AY MDL No:MFCD21959725
Product Description
Catalog Number:
AG01B3AY
Chemical Name:
(1,5-dimethyl-1H-pyrazol-4-yl)methanesulfonamide
CAS Number:
1508813-00-0
Molecular Formula:
C6H11N3O2S
Molecular Weight:
189.2354
MDL Number:
MFCD21959725
IUPAC Name:
(1,5-dimethylpyrazol-4-yl)methanesulfonamide
InChI:
InChI=1S/C6H11N3O2S/c1-5-6(3-8-9(5)2)4-12(7,10)11/h3H,4H2,1-2H3,(H2,7,10,11)
InChI Key:
ACQPFHBGDLFXAN-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1C)CS(=O)(=O)N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.233g/mol
Monoisotopic Mass:
189.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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