| CAS Number | 1153040-21-1 |
| Catalog Number | AG01AHUU(AGN-PC-0WO9VI) |
| Chemical Name | 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]pyrazol-4-amine |
| InChI | InChI=1S/C10H8F3N3/c11-10(12,13)7-2-1-3-9(4-7)16-6-8(14)5-15-16/h1-6H,14H2 |
| InChI Key | QYEHERJXNTXVNQ-UHFFFAOYSA-N |
| MDL Number | MFCD12192655 |
| Molecular Formula | C10H8F3N3 |
| Molecular Weight | 227.1858 |
| SMILES | NC1=CN(C2=CC(C(F)(F)F)=CC=C2)N=C1 |
| Synonyms | 1153040-21-1,
1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine,
1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-amine,
SCHEMBL14764217,
ZINC35728308,
AKOS008135772,
MCULE-7001086973,
NE35177,
DA-15220,
AM20020241,
FT-0763766,
EN300-75891,
Z1267881631,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.19g/mol |
| Monoisotopic Mass | 227.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number