| CAS Number | 1801270-15-4 |
| Catalog Number | AG01BUYF |
| Chemical Name | [4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine |
| IUPAC Name | [4-(difluoromethyl)-1-methylpyrazol-3-yl]methanamine |
| InChI | InChI=1S/C6H9F2N3/c1-11-3-4(6(7)8)5(2-9)10-11/h3,6H,2,9H2,1H3 |
| InChI Key | LTMAZUMCWARELR-UHFFFAOYSA-N |
| MDL Number | MFCD30471180 |
| Molecular Formula | C6H9F2N3 |
| Molecular Weight | 161.1526 |
| SMILES | CN1N=C(CN)C(C(F)F)=C1 |
| Synonyms | 1801270-15-4,
(4-(Difluoromethyl)-1-methyl-1H-pyrazol-3-yl)methanamine,
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine,
SCHEMBL17769162,
AKOS030628855,
ZINC498036573,
(1-Methyl-4-difluoromethyl-1H-pyrazole-3-yl)methylamine,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.156g/mol |
| Monoisotopic Mass | 161.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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