| CAS Number | 664966-72-7 |
| Catalog Number | AG00FBTA(AGN-PC-01G56G) |
| Chemical Name | 1-(tert-Butyl)-4-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-tert-butyl-4-phenylpyrazol-3-amine |
| InChI | InChI=1S/C13H17N3/c1-13(2,3)16-12(14)11(9-15-16)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3 |
| InChI Key | KVEBAUKFSAFDEN-UHFFFAOYSA-N |
| MDL Number | MFCD06135648 |
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.2942 |
| SMILES | C1(N)=C(C2=CC=CC=C2)C=NN1C(C)(C)C |
| Synonyms | 1-TERT-BUTYL-4-PHENYL-1H-PYRAZOL-5-AMINE,
664966-72-7,
CHEMBRDG-BB 7942794,
SCHEMBL4883435,
CTK5C4814,
DTXSID50589552,
ZX-CM017556,
MFCD06135648,
ZINC12381792,
AKOS003348122,
AJ-61980,
1-(tert-Butyl)-4-phenyl-1H-pyrazol-5-amine,
Y-2067,
1-tert-Butyl-4-phenyl-1H-pyrazol-5-amine, AldrichCPR,
7942794-25G,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.3g/mol |
| Monoisotopic Mass | 215.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number