| CAS Number | 956411-52-2 |
| Catalog Number | AG019NM0 |
| Chemical Name | 3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-5-amine |
| IUPAC Name | 5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-amine |
| InChI | InChI=1S/C18H17N3/c19-18-12-17(20-21(18)16-7-2-1-3-8-16)15-10-9-13-5-4-6-14(13)11-15/h1-3,7-12H,4-6,19H2 |
| InChI Key | UAKWYWDQVUOVQB-UHFFFAOYSA-N |
| MDL Number | MFCD06359959 |
| Molecular Formula | C18H17N3 |
| Molecular Weight | 275.3477 |
| SMILES | NC1N(C2=CC=CC=C2)N=C(C2=CC3=C(CCC3)C=C2)C=1 |
| Synonyms | 3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-5-amine,
956411-52-2,
AC1Q51IY,
AC1M82U5,
CTK7D5903,
ZINC3410468,
AKOS008967627,
MCULE-9975888268,
NE46328,
EN300-11157,
Z57036283,
5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-amine,
ZINC03410468,
CID2529393,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.355g/mol |
| Monoisotopic Mass | 275.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number