| CAS Number | 149978-55-2 |
| Catalog Number | AG01A6VX(AGN-PC-0NKWJQ) |
| Chemical Name | 5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-amine |
| IUPAC Name | 5-(difluoromethoxy)-1-methylpyrazol-3-amine |
| InChI | InChI=1S/C5H7F2N3O/c1-10-4(11-5(6)7)2-3(8)9-10/h2,5H,1H3,(H2,8,9) |
| InChI Key | SVUHJVPUSLBKPZ-UHFFFAOYSA-N |
| MDL Number | MFCD20702413 |
| Molecular Formula | C5H7F2N3O |
| Molecular Weight | 163.1254 |
| SMILES | CN1C(OC(F)F)=CC(N)=N1 |
| Synonyms | 5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-amine,
149978-55-2,
SCHEMBL8434538,
SVUHJVPUSLBKPZ-UHFFFAOYSA-N,
ZINC95348324,
AKOS026728105,
NE39572,
3-Amino-5-difluoromethoxy-1-methylpyrazole,
3-Amino-5-difluoromethoxy-1-methyl-pyrazole,
5-(difluoromethoxy)-1-methyl-1H-pyrazole-3-amine,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.128g/mol |
| Monoisotopic Mass | 163.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number