| CAS Number | 1249029-93-3 |
| Catalog Number | AG01DHBB |
| Chemical Name | 4-Chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-chloro-2-(4-fluorophenyl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C10H9ClFN3/c1-6-9(11)10(13)15(14-6)8-4-2-7(12)3-5-8/h2-5H,13H2,1H3 |
| InChI Key | QCYFGDHVYIWTHJ-UHFFFAOYSA-N |
| MDL Number | MFCD16092744 |
| Molecular Formula | C10H9ClFN3 |
| Molecular Weight | 225.6500 |
| SMILES | Cc1nn(c(N)c1Cl)-c1ccc(F)cc1 |
| Synonyms | 4-Chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine,
1249029-93-3,
AKOS011002337,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.651g/mol |
| Monoisotopic Mass | 225.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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