| CAS Number | 110860-59-8 |
| Catalog Number | AG01B5SH |
| Chemical Name | Methyl 5-Amino-1,3-Dimethyl-1H-Pyrazole-4-Carboxylate |
| IUPAC Name | methyl 5-amino-1,3-dimethylpyrazole-4-carboxylate |
| InChI | InChI=1S/C7H11N3O2/c1-4-5(7(11)12-3)6(8)10(2)9-4/h8H2,1-3H3 |
| InChI Key | IJPMTVHWFXFUOV-UHFFFAOYSA-N |
| MDL Number | MFCD20722626 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | O=C(C1=C(N)N(C)N=C1C)OC |
| Synonyms | methyl 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylate,
110860-59-8,
SCHEMBL10576705,
AKOS033751255,
ZINC148983223,
Z2045390477,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number