| CAS Number | 436806-62-1 |
| Catalog Number | AG01AOBH(AGN-PC-0WBBQ0) |
| Chemical Name | 5-ethyl-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-ethyl-3-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11) |
| InChI Key | KCNZLFVWIBQNTR-UHFFFAOYSA-N |
| MDL Number | MFCD08701188 |
| Molecular Formula | C6H7F3N2 |
| Molecular Weight | 164.1284 |
| SMILES | CCC1NN=C(C(F)(F)F)C=1 |
| Synonyms | 5-ethyl-3-(trifluoromethyl)-1H-pyrazole,
436806-62-1,
5-ethyl-3-(trifluoromethyl)pyrazole,
1H-Pyrazole, 3-ethyl-5-(trifluoromethyl)-,
SCHEMBL2581322,
KCNZLFVWIBQNTR-UHFFFAOYSA-N,
FCH862952,
SBB024736,
STK351695,
ZINC12395948,
AKOS003673271,
5-ethyl-3-trifluoromethyl-1H-pyrazole,
MCULE-9568331310,
3-(Trifluoromethyl)-5-ethyl-1H-pyrazole,
ST088531,
EN300-231339,
5-ethyl-3-(trifluoromethyl)-1H-pyrazole, AldrichCPR,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.131g/mol |
| Monoisotopic Mass | 164.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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