| CAS Number | 1176581-36-4 |
| Catalog Number | AG01ACBL(AGN-PC-0WO3T1) |
| Chemical Name | 1-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-amine |
| IUPAC Name | 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine |
| InChI | InChI=1S/C11H12FN3/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(12)6-10/h3-6H,13H2,1-2H3 |
| InChI Key | PJVQLYYBMGQTKN-UHFFFAOYSA-N |
| MDL Number | MFCD11935982 |
| Molecular Formula | C11H12FN3 |
| Molecular Weight | 205.2315 |
| SMILES | CC1C(N)=C(C)N(C2=CC(F)=CC=C2)N=1 |
| Synonyms | 1-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-amine,
1176581-36-4,
ZINC32010433,
AKOS010813686,
NE57443,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.236g/mol |
| Monoisotopic Mass | 205.102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number