| CAS Number | 832115-44-3 |
| Catalog Number | AG019KXJ(AGN-PC-0WBA6R) |
| Chemical Name | 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| IUPAC Name | 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChI | InChI=1S/C8H3F3N4/c9-8(10,11)6-1-2-13-7-5(3-12)4-14-15(6)7/h1-2,4H |
| InChI Key | GKIDVDCXJWMRRN-UHFFFAOYSA-N |
| MDL Number | MFCD04133858 |
| Molecular Formula | C8H3F3N4 |
| Molecular Weight | 212.1314 |
| SMILES | FC(C1N2C(=C(C=N2)C#N)N=CC=1)(F)F |
| Synonyms | 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile,
832115-44-3,
7-Trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile,
EN300-28900,
AC1Q4JD5,
ZINC2532693,
MFCD04133858,
SBB022266,
STK349677,
AKOS000141651,
MCULE-4380674780,
NE38401,
7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-3-carbonitrile,
7-Trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, AldrichCPR,
ZINC02532693,
CID7016924,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.135g/mol |
| Monoisotopic Mass | 212.031g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number