Home Other Building Blocks 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]propanoic acid

3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]propanoic acid

CAS No.:
926205-65-4
Catalog Number:
AG019O16
Molecular Formula:
C14H17N3O4S
Molecular Weight:
323.3675
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Product Description
Catalog Number:
AG019O16
Chemical Name:
3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]propanoic acid
CAS Number:
926205-65-4
Molecular Formula:
C14H17N3O4S
Molecular Weight:
323.3675
MDL Number:
MFCD06660801
IUPAC Name:
3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoic acid
InChI:
InChI=1S/C14H17N3O4S/c1-9-13(7-8-14(18)19)10(2)17(16-9)11-3-5-12(6-4-11)22(15,20)21/h3-6H,7-8H2,1-2H3,(H,18,19)(H2,15,20,21)
InChI Key:
ATSRJEPDHYZLQW-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nn(c1C)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.094g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
323.367g/mol
Monoisotopic Mass:
323.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties