| CAS Number | 1006486-07-2 |
| Catalog Number | AG01DUWJ |
| Chemical Name | methyl 4-amino-1,5-dimethyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate |
| InChI | InChI=1S/C7H11N3O2/c1-4-5(8)6(7(11)12-3)9-10(4)2/h8H2,1-3H3 |
| InChI Key | PPPYRJSMLGWDHP-UHFFFAOYSA-N |
| MDL Number | MFCD08696390 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | COC(C1C(N)=C(C)N(C)N=1)=O |
| Synonyms | methyl 4-amino-1,5-dimethyl-1H-pyrazole-3-carboxylate,
1006486-07-2,
methyl 4-amino-1,5-dimethylpyrazole-3-carboxylate,
CTK6J1310,
SBB024144,
STK351184,
ZINC12394990,
AKOS000313613,
MCULE-9369738929,
ST45118952,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number