| CAS Number | 374559-96-3 |
| Catalog Number | AG019H3P(AGN-PC-0KRODZ) |
| Chemical Name | 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H9ClF3N3/c1-6-4-10(16)18(17-6)9-5-7(11(13,14)15)2-3-8(9)12/h2-5H,16H2,1H3 |
| InChI Key | SLSLMDNIWHDPSC-UHFFFAOYSA-N |
| MDL Number | MFCD02706705 |
| Molecular Formula | C11H9ClF3N3 |
| Molecular Weight | 275.6575 |
| SMILES | CC1=NN(C2=C(Cl)C=CC(C(F)(F)F)=C2)C(N)=C1 |
| Synonyms | 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1H-pyrazol-5-amine,
374559-96-3,
2-(2-Chloro-5-trifluoromethyl-phenyl)-5-methyl-2H-pyrazol-3-ylamine,
AC1MM2FY,
AC1Q2PLP,
SCHEMBL15428642,
CTK6C4620,
ZINC3885503,
AKOS000122200,
MCULE-5365192665,
NE20727,
EN300-02444,
Z55423091,
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine,
ZINC03885503,
CID3279301,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.659g/mol |
| Monoisotopic Mass | 275.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number