| CAS Number | 1221725-55-8 |
| Catalog Number | AG01A7T0(AGN-PC-0WOTDA) |
| Chemical Name | 1-[(2,5-difluorophenyl)methyl]-4-methyl-1H-pyrazol-5-amine hydrochloride |
| IUPAC Name | 2-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C11H11F2N3.ClH/c1-7-5-15-16(11(7)14)6-8-4-9(12)2-3-10(8)13;/h2-5H,6,14H2,1H3;1H |
| InChI Key | OFDXIAATPBRNIX-UHFFFAOYSA-N |
| MDL Number | MFCD14705813 |
| Molecular Formula | C11H12ClF2N3 |
| Molecular Weight | 259.6829 |
| SMILES | Cl.CC1=C(N)N(CC2=C(F)C=CC(F)=C2)N=C1 |
| Synonyms | 1-[(2,5-difluorophenyl)methyl]-4-methyl-1H-pyrazol-5-amine hydrochloride,
1221725-55-8,
AC1Q39CV,
CTK7B8830,
AKOS026743069,
MCULE-5210563549,
NE27497,
EN300-59720,
Z1222283860,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.685g/mol |
| Monoisotopic Mass | 259.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number