| CAS Number | 1808587-33-8 |
| Catalog Number | AG01C4LZ |
| Chemical Name | 4-Amino-5-methyl-2,3-dihydro-1H-pyrazol-3-one dihydrochloride |
| IUPAC Name | 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride |
| InChI | InChI=1S/C4H7N3O.2ClH/c1-2-3(5)4(8)7-6-2;;/h5H2,1H3,(H2,6,7,8);2*1H |
| InChI Key | CDSSUWLVQWLBEB-UHFFFAOYSA-N |
| MDL Number | MFCD29763177 |
| Molecular Formula | C4H9Cl2N3O |
| Molecular Weight | 186.0398 |
| SMILES | Cl.Cl.CC1=C(N)C(=O)NN1 |
| Synonyms | 1808587-33-8,
4-amino-5-methyl-2,3-dihydro-1H-pyrazol-3-one dihydrochloride,
Z2205958785,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.036g/mol |
| Monoisotopic Mass | 185.012g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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