| CAS Number | 956191-91-6 |
| Catalog Number | AG019KA5(AGN-PC-00UXJF) |
| Chemical Name | ([(5-Amino-1-phenyl-1h-pyrazol-4-yl)carbonyl]amino)acetic acid |
| IUPAC Name | 2-[(5-amino-1-phenylpyrazole-4-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C12H12N4O3/c13-11-9(12(19)14-7-10(17)18)6-15-16(11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,19)(H,17,18) |
| InChI Key | GLZSYDGSFZEZPQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691226 |
| Molecular Formula | C12H12N4O3 |
| Molecular Weight | 260.2487 |
| SMILES | NC1N(C2=CC=CC=C2)N=CC=1C(NCC(O)=O)=O |
| Synonyms | 2-[(5-amino-1-phenyl-1H-pyrazol-4-yl)formamido]acetic acid,
956191-91-6,
{[(5-amino-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}acetic acid,
AC1Q50X7,
CTK7J5233,
ZINC12505206,
AKOS008083686,
MCULE-5760320001,
NE23845,
EN300-26155,
2-(5-amino-1-phenyl-1h-pyrazol-4-ylcarbonyl-amino)acetic acid,
Glycine, N-[(5-amino-1-phenyl-1H-pyrazol-4-yl)carbonyl],
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.253g/mol |
| Monoisotopic Mass | 260.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number