| CAS Number | 1374829-57-8 |
| Catalog Number | AG01AN3N |
| Chemical Name | 5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine |
| IUPAC Name | 5-methyl-1-(oxan-4-yl)pyrazol-4-amine |
| InChI | InChI=1S/C9H15N3O/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3 |
| InChI Key | GMHNKGPHJQRSMQ-UHFFFAOYSA-N |
| MDL Number | MFCD23161447 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | CC1N(C2CCOCC2)N=CC=1N |
| Synonyms | 5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine,
1374829-57-8,
SCHEMBL5021081,
AKOS033810363,
ZINC148616965,
FT-0745654,
Z2230911117,
5-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-Pyrazol-4-amine,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.239g/mol |
| Monoisotopic Mass | 181.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number