| CAS Number | 72292-62-7 |
| Catalog Number | AG005UK0(AGN-PC-0U0CH4) |
| Chemical Name | Ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate |
| IUPAC Name | ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate |
| InChI | InChI=1S/C12H14N4O4S/c1-2-20-12(17)10-7-15-16(11(10)13)8-3-5-9(6-4-8)21(14,18)19/h3-7H,2,13H2,1H3,(H2,14,18,19) |
| InChI Key | MFGZXPGKKJMZIY-UHFFFAOYSA-N |
| MDL Number | MFCD03407820 |
| Molecular Formula | C12H14N4O4S |
| Molecular Weight | 310.3290 |
| NSC Number | 747468 |
| SMILES | S(=O)(=O)(N)C2(=CC=C(N1(N=CC(=C1N)C(=O)OCC))C=C2) |
| Synonyms | 72292-62-7,
ETHYL 5-AMINO-1-(4-SULFAMOYLPHENYL)PYRAZOLE-4-CARBOXYLATE,
ethyl 5-amino-1-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxylate,
1H-Pyrazole-4-carboxylicacid, 5-amino-1-[4-(aminosulfonyl)phenyl]-, ethyl ester,
CHEMBL3961185,
CTK5D5856,
DTXSID20501100,
MFCD03407820,
NSC747468,
ZINC87489401,
NSC-747468,
AS-11500,
M-1235,
C12H14N4O4S,
ETHYL5-AMINO-1- PYRAZOLE-4-CARBOXYLATE,
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| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.328g/mol |
| Monoisotopic Mass | 310.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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