| CAS Number | 1193389-12-6 |
| Catalog Number | AG019W4R |
| Chemical Name | N-(4-amino-2-methylphenyl)-2-(1H-pyrazol-1-yl)acetamide dihydrochloride |
| IUPAC Name | N-(4-amino-2-methylphenyl)-2-pyrazol-1-ylacetamide;dihydrochloride |
| InChI | InChI=1S/C12H14N4O.2ClH/c1-9-7-10(13)3-4-11(9)15-12(17)8-16-6-2-5-14-16;;/h2-7H,8,13H2,1H3,(H,15,17);2*1H |
| InChI Key | SZXWSRBZMQTHDF-UHFFFAOYSA-N |
| MDL Number | MFCD12912864 |
| Molecular Formula | C12H16Cl2N4O |
| Molecular Weight | 303.1876 |
| SMILES | Cl.Cl.CC1=C(NC(CN2N=CC=C2)=O)C=CC(N)=C1 |
| Synonyms | N-(4-amino-2-methylphenyl)-2-(1H-pyrazol-1-yl)acetamide dihydrochloride,
1193389-12-6,
AC1Q3A75,
CTK7G6131,
MCULE-8356851708,
NE56789,
EN300-50521,
Z607822614,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.187g/mol |
| Monoisotopic Mass | 302.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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