| CAS Number | 1556208-90-2 |
| Catalog Number | AG01EJGP |
| Chemical Name | tert-butyl 2-amino-4-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxylate |
| IUPAC Name | tert-butyl 2-amino-4-(1-methylpyrazol-4-yl)thiophene-3-carboxylate |
| InChI | InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)10-9(7-19-11(10)14)8-5-15-16(4)6-8/h5-7H,14H2,1-4H3 |
| InChI Key | JMJQSYLXZANPPJ-UHFFFAOYSA-N |
| MDL Number | MFCD25239051 |
| Molecular Formula | C13H17N3O2S |
| Molecular Weight | 279.3580 |
| SMILES | CN1N=CC(C2C(C(OC(C)(C)C)=O)=C(N)SC=2)=C1 |
| Synonyms | AKOS020805796,
tert-butyl 2-amino-4-(1-methyl-1H-pyrazol-4-yl)thiophene-3-carboxylate,
1556208-90-2,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.358g/mol |
| Monoisotopic Mass | 279.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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