| CAS Number | 92441-07-1 |
| Catalog Number | AG00GUGE |
| Chemical Name | N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamide |
| IUPAC Name | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamide |
| InChI | InChI=1S/C14H17N5O3/c1-9-13(16-12(20)8-11(15)17-22)14(21)19(18(9)2)10-6-4-3-5-7-10/h3-7,22H,8H2,1-2H3,(H2,15,17)(H,16,20) |
| InChI Key | AYLZLERRZYVVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD04621493 |
| Molecular Formula | C14H17N5O3 |
| Molecular Weight | 303.3165 |
| SMILES | O=C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)CC(N)=NO |
| Synonyms | 92441-07-1,
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(hydroxyamino)-3-iminopropanamide,
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(N-hydroxycarbamimidoyl)-acetamide,
AC1M68UF,
CTK8A6729,
CTK8G1232,
AKOS030661711,
3-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxyiminopropanamide,
ZINC03886555,
CID2393543,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.322g/mol |
| Monoisotopic Mass | 303.133g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number