| CAS Number | 1082745-56-9 |
| Catalog Number | AG00HB4T(AGN-PC-0WAY6B) |
| Chemical Name | 5-Amino-1-(2-trifluoro)ethyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonitrile |
| InChI | InChI=1S/C6H5F3N4/c7-6(8,9)3-13-5(11)4(1-10)2-12-13/h2H,3,11H2 |
| InChI Key | UXWUCQWZFVTTEN-UHFFFAOYSA-N |
| MDL Number | MFCD00128420 |
| Molecular Formula | C6H5F3N4 |
| Molecular Weight | 190.1259 |
| SMILES | FC(F)(F)CN1(N=CC(=C1N)C#N) |
| Synonyms | 1082745-56-9,
5-Amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile,
5-Amino-1-(2-trifluoro)ethyl-1H-pyrazole-4-carbonitrile,
SCHEMBL90263,
UXWUCQWZFVTTEN-UHFFFAOYSA-N,
KS-00001PW5,
ZINC2582027,
AKOS026674499,
AS-7068,
FCH1136035,
BBV-39713722,
PC200455,
SC-56343,
5-Amino-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-ca,
5-Amino-4-cyano-1-(2,2,2-trifluoroethyl)-1H-pyrazole,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.046631g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.13g/mol |
| Monoisotopic Mass | 190.046631g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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