| CAS Number | 926205-65-4 |
| Catalog Number | AG019O16 |
| Chemical Name | 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]propanoic acid |
| 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 |
| MDL Number | MFCD06660801 |
| Molecular Formula | C14H17N3O4S |
| Molecular Weight | 323.3675 |
| SMILES | CC1C(CCC(O)=O)=C(C)N(C2=CC=C(S(N)(=O)=O)C=C2)N=1 |
| Synonyms | 3-[3,5-dimethyl-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]propanoic acid,
926205-65-4,
3-{1-[4-(aminosulfonyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl}propanoic acid,
AC1NLPTZ,
AC1Q2PK4,
CTK7J2974,
ZINC4205292,
3-[3,5-dimethyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]propanoic Acid,
AKOS000122801,
MCULE-6958541211,
NE38114,
EN300-12472,
Z823287520,
CID4961915,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number