| CAS Number | 1160822-72-9 |
| Catalog Number | AG000BKM(AGN-PC-0WCKD4) |
| Chemical Name | 1H-Pyrazol-3-aMine, 5-(difluoroMethoxy)- |
| IUPAC Name | 3-(difluoromethoxy)-1H-pyrazol-5-amine |
| InChI | InChI=1S/C4H5F2N3O/c5-4(6)10-3-1-2(7)8-9-3/h1,4H,(H3,7,8,9) |
| InChI Key | CRIYGNLBNKZSNA-UHFFFAOYSA-N |
| MDL Number | MFCD24848799 |
| Molecular Formula | C4H5F2N3O |
| Molecular Weight | 149.0988 |
| SMILES | NC1=NNC(OC(F)F)=C1 |
| Synonyms | 5-(Difluoromethoxy)-1H-pyrazol-3-amine,
1160822-72-9,
5-(1,1-difluoro-methoxy)-2h-pyrazol-3-ylamine,
SCHEMBL4002293,
CRIYGNLBNKZSNA-UHFFFAOYSA-N,
MFCD24848799,
ZINC95532431,
AKOS006350795,
AKOS025291040,
3-difluoromethoxy-1H-pyrazole-5-amine,
AS-51963,
1H-Pyrazol-3-amine, 5-(difluoromethoxy)-,
CS-0050757,
KS-00000520,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.101g/mol |
| Monoisotopic Mass | 149.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number