| CAS Number | 1003011-02-6 |
| Catalog Number | AG0001IV(AGN-PC-0WAKIB) |
| Chemical Name | 1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 5-aminopyrazole-1-carboxylate |
| InChI | InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6(9)4-5-10-11/h4-5H,9H2,1-3H3 |
| InChI Key | QYQBAJXCDXDNJU-UHFFFAOYSA-N |
| MDL Number | MFCD20702903 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | O=C(N1N=CC=C1N)OC(C)(C)C |
| Synonyms | tert-butyl 5-amino-1H-pyrazole-1-carboxylate,
1003011-02-6,
1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester,
5-amino-pyrazole-1-carboxylic acid tert-butyl ester,
SCHEMBL1864917,
QYQBAJXCDXDNJU-UHFFFAOYSA-N,
MFCD20702903,
AKOS028113423,
ZINC117359259,
KS-0000086R,
AS-53945,
t-Butyl 5-amino-1H-pyrazole-1-carboxylate,
CS-0040421,
Z2379802689,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number