| CAS Number | 1268829-73-7 |
| Catalog Number | AG019WEX |
| Chemical Name | (5-[3-(3-Fluorophenyl)-1h-pyrazol-5-yl]pentyl)(methyl)amine |
| IUPAC Name | 5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpentan-1-amine |
| InChI | InChI=1S/C15H20FN3/c1-17-9-4-2-3-8-14-11-15(19-18-14)12-6-5-7-13(16)10-12/h5-7,10-11,17H,2-4,8-9H2,1H3,(H,18,19) |
| InChI Key | MSXJPEDQDWULSW-UHFFFAOYSA-N |
| MDL Number | MFCD12913010 |
| Molecular Formula | C15H20FN3 |
| Molecular Weight | 261.3378 |
| SMILES | CNCCCCCC1NN=C(C2=CC(F)=CC=C2)C=1 |
| Synonyms | {5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl}(methyl)amine,
1268829-73-7,
AC1Q41A2,
CTK6I5632,
ZINC36379789,
AKOS034563766,
MCULE-6461022846,
NE36369,
EN300-51729,
AB01005432-01,
Z744754790,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.344g/mol |
| Monoisotopic Mass | 261.164g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number