| CAS Number | 877402-82-9 |
| Catalog Number | AG01B76G(AGN-PC-0HZAVM) |
| Chemical Name | 2-(Trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-ol |
| IUPAC Name | 2-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazin-4-one |
| InChI | InChI=1S/C7H4F3N3O/c8-7(9,10)5-3-4-6(14)11-1-2-13(4)12-5/h1-3H,(H,11,14) |
| InChI Key | PLEQTMITFTVUCP-UHFFFAOYSA-N |
| MDL Number | MFCD09835000 |
| Molecular Formula | C7H4F3N3O |
| Molecular Weight | 203.1214 |
| SMILES | OC1=NC=CN2C1=CC(C(F)(F)F)=N2 |
| Synonyms | 2-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRAZIN-4-OL,
877402-82-9,
SCHEMBL3121166,
PLEQTMITFTVUCP-UHFFFAOYSA-N,
ZINC95756000,
AKOS034056000,
AB53049,
DA-02056,
FT-0769453,
2-(trifluoromethyl)-Pyrazolo[1,5-a]pyrazin-4(5H)-one,
2-(Trifluoromethyl)pyrazolo [1,5-a]pyrazin-4(5H)-one,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.124g/mol |
| Monoisotopic Mass | 203.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number