| CAS Number | 727967-95-5 |
| Catalog Number | AG01BS0X(AGN-PC-0WBBMC) |
| Chemical Name | 1-(4-fluorophenyl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-(4-fluorophenyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H,11H2 |
| InChI Key | KOTZBCKOEKMKPE-UHFFFAOYSA-N |
| MDL Number | MFCD08559034 |
| Molecular Formula | C9H8FN3 |
| Molecular Weight | 177.1783 |
| SMILES | NC1N(C2=CC=C(F)C=C2)N=CC=1 |
| Synonyms | 1-(4-fluorophenyl)-1H-pyrazol-5-amine,
727967-95-5,
1-(4-fluorophenyl)pyrazole-5-ylamine,
SCHEMBL1491089,
CTK7C0833,
SBB024573,
STK351543,
ZINC12395659,
AKOS000319190,
KS-6865,
MCULE-8328829249,
2-(4-Fluorophenyl)-2H-pyrazol-3-ylamine,
BB 0219825,
ST45123293,
Z2106597820,
76606-43-4,
2-(4-fluoro-phenyl)-2h-pyrazol-3-ylamine,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.182g/mol |
| Monoisotopic Mass | 177.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number