| CAS Number | 1015845-64-3 |
| Catalog Number | AG0004VI(AGN-PC-0WB3L2) |
| Chemical Name | 1-(3-Fluorobenzyl)-4-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-[(3-fluorophenyl)methyl]-4-methylpyrazol-3-amine |
| InChI | InChI=1S/C11H12FN3/c1-8-6-14-15(11(8)13)7-9-3-2-4-10(12)5-9/h2-6H,7,13H2,1H3 |
| InChI Key | ZZTPGCPCJPLFTI-UHFFFAOYSA-N |
| MDL Number | MFCD08691580 |
| Molecular Formula | C11H12FN3 |
| Molecular Weight | 205.2315 |
| SMILES | N1(CC2C=CC=C(F)C=2)N=CC(C)=C1N |
| Synonyms | 1-(3-FLUOROBENZYL)-4-METHYL-1H-PYRAZOL-5-AMINE,
1015845-64-3,
1H-pyrazol-5-amine, 1-[(3-fluorophenyl)methyl]-4-methyl-,
CTK3J9930,
DTXSID80650880,
ALBB-012200,
ZX-AN011006,
ZX-CM004301,
7382AC,
MFCD08691580,
ZINC19090111,
AKOS002659274,
MCULE-2293702955,
AJ-71346,
FT-0683514,
Y-4252,
2-[(3-fluorophenyl)methyl]-4-methylpyrazol-3-amine,
I01-15374,
1-[(3-Fluorophenyl)methyl]-4-methyl-1H-pyrazol-5-amine,
C11H12FN3,
|
| Complexity | 212 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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