| CAS Number | 2145474-02-6 |
| Catalog Number | AG01EJEP |
| Chemical Name | 3-phenyl-4-(propan-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-phenyl-4-propan-2-ylpyrazolidin-3-amine |
| InChI | InChI=1S/C12H19N3/c1-8(2)10-11(14-15-12(10)13)9-6-4-3-5-7-9/h3-8,10-12,14-15H,13H2,1-2H3 |
| InChI Key | YVKJHPSVHSAQRD-UHFFFAOYSA-N |
| MDL Number | MFCD11586744 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CC(C1C(C2=CC=CC=C2)=NNC=1N)C |
| Synonyms | 3-phenyl-4-(propan-2-yl)-1H-pyrazol-5-amine,
2145474-02-6,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.305g/mol |
| Monoisotopic Mass | 205.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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