| CAS Number | 882229-28-9 |
| Catalog Number | AG019HVV |
| Chemical Name | 1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-amine |
| InChI | InChI=1S/C18H19N3/c1-12-9-14(3)16(10-13(12)2)17-11-18(19)21(20-17)15-7-5-4-6-8-15/h4-11H,19H2,1-3H3 |
| InChI Key | NJKZHIVNAOXSHK-UHFFFAOYSA-N |
| MDL Number | MFCD03988517 |
| Molecular Formula | C18H19N3 |
| Molecular Weight | 277.3636 |
| SMILES | CC1=C(C)C=C(C2=NN(C3=CC=CC=C3)C(N)=C2)C(C)=C1 |
| Synonyms | 1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-amine,
882229-28-9,
2-Phenyl-5-(2,4,5-trimethyl-phenyl)-2H-pyrazol-3-ylamine,
CTK6B4672,
ZINC3319023,
AKOS034465908,
MCULE-3280740519,
NE33429,
EN300-04860,
Z56921758,
AC1Q2HYG,
AC1M731S,
ZINC03319023,
CID2434766,
2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-amine,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.157898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.4g/mol |
| Monoisotopic Mass | 277.157898g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number