| CAS Number | 817641-86-4 |
| Catalog Number | AG00ID7J(AGN-PC-09MQVX) |
| Chemical Name | 1H-Pyrazol-5-amine, 3-cyclobutyl-1-(1,1-dimethylethyl)- |
| IUPAC Name | 2-tert-butyl-5-cyclobutylpyrazol-3-amine |
| InChI | InChI=1S/C11H19N3/c1-11(2,3)14-10(12)7-9(13-14)8-5-4-6-8/h7-8H,4-6,12H2,1-3H3 |
| InChI Key | VZZTXMPAZZZOFX-UHFFFAOYSA-N |
| MDL Number | MFCD18072639 |
| Molecular Formula | C11H19N3 |
| Molecular Weight | 193.2887 |
| SMILES | CC(n1nc(cc1N)C1CCC1)(C)C |
| Synonyms | 817641-86-4,
1-tert-butyl-3-Cyclobutyl-1H-pyrazol-5-amine,
1-(tert-Butyl)-3-cyclobutyl-1H-pyrazol-5-amine,
2-tert-butyl-5-cyclobutyl-2H-pyrazol-3-ylamine,
SCHEMBL4712988,
VZZTXMPAZZZOFX-UHFFFAOYSA-N,
MFCD18072639,
ZINC64034105,
AKOS022179983,
CS-0039029,
2-TERT-BUTYL-5-CYCLOBUTYLPYRAZOL-3-AMINE,
5-Cylcobutyl-2-(t-butyl)-2H-pyrazol-3-yl-amine,
1H-Pyrazol-5-amine, 3-cyclobutyl-1-(1,1-dimethylethyl)-,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.294g/mol |
| Monoisotopic Mass | 193.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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