| CAS Number | 57411-70-8 |
| Catalog Number | AG01BAJX(AGN-PC-00PZ3P) |
| Chemical Name | 5-Amino-1,3-dimethyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-amino-1,3-dimethylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C6H9N3O/c1-4-5(3-10)6(7)9(2)8-4/h3H,7H2,1-2H3 |
| InChI Key | LMWISGVUHHTGQH-UHFFFAOYSA-N |
| MDL Number | MFCD19204993 |
| Molecular Formula | C6H9N3O |
| Molecular Weight | 139.1552 |
| SMILES | O=CC1=C(N)N(C)N=C1C |
| Synonyms | 57411-70-8,
5-amino-1,3-dimethylpyrazole-4-carbaldehyde,
5-amino-1,3-dimethyl-1H-pyrazole-4-carbaldehyde,
SCHEMBL5961561,
LMWISGVUHHTGQH-UHFFFAOYSA-N,
ZINC34611860,
AKOS006340028,
5-Amino-1,3-dimethylpyrazole-4-carboxaldehyde,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.158g/mol |
| Monoisotopic Mass | 139.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number