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1690477-45-2 | [1-(propan-2-yl)-1H-pyrazol-4-yl]methanesulfonamide
CAS No: 1690477-45-2 Catalog No: AG01B3UG MDL No:MFCD31420947
Product Description
Catalog Number:
AG01B3UG
Chemical Name:
[1-(propan-2-yl)-1H-pyrazol-4-yl]methanesulfonamide
CAS Number:
1690477-45-2
Molecular Formula:
C7H13N3O2S
Molecular Weight:
203.2620
MDL Number:
MFCD31420947
IUPAC Name:
(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
InChI:
InChI=1S/C7H13N3O2S/c1-6(2)10-4-7(3-9-10)5-13(8,11)12/h3-4,6H,5H2,1-2H3,(H2,8,11,12)
InChI Key:
ZBOPTUKBABVESM-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)CS(=O)(=O)N)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.26g/mol
Monoisotopic Mass:
203.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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