| CAS Number | 105438-45-7 |
| Catalog Number | AG01DUY5(AGN-PC-0LGGLQ) |
| Chemical Name | 1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 2-(3-fluorophenyl)-5-methylpyrazol-3-amine |
| InChI | InChI=1S/C10H10FN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3 |
| InChI Key | KXQWVDJDEROCEI-UHFFFAOYSA-N |
| MDL Number | MFCD06496505 |
| Molecular Formula | C10H10FN3 |
| Molecular Weight | 191.2049 |
| SMILES | CC1=NN(C2=CC(F)=CC=C2)C(N)=C1 |
| Synonyms | 1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-amine,
105438-45-7,
AC1NHF8I,
1H-Pyrazol-5-amine, 1-(3-fluorophenyl)-3-methyl-,
SCHEMBL10929795,
ZINC4243155,
BBL030541,
STK935145,
AKOS002664789,
KS-6841,
MCULE-7304652688,
2-(3-fluorophenyl)-5-methylpyrazol-3-amine,
ZINC04243155,
CID4739158,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.209g/mol |
| Monoisotopic Mass | 191.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number