| CAS Number | 1247075-24-6 |
| Catalog Number | AG01A0AQ(AGN-PC-0WO8D1) |
| Chemical Name | 3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-methyl-2-(oxan-4-yl)pyrazol-3-amine |
| InChI | InChI=1S/C9H15N3O/c1-7-6-9(10)12(11-7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3 |
| InChI Key | SFUBOCVBYZCIFG-UHFFFAOYSA-N |
| MDL Number | MFCD16092683 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | CC1=NN(C2CCOCC2)C(N)=C1 |
| Synonyms | 1247075-24-6,
3-Methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine,
3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine,
5-Methyl-2-(tetrahydropyran-4-yl)-2H-pyrazol-3-ylamine,
SCHEMBL1694604,
SFUBOCVBYZCIFG-UHFFFAOYSA-N,
ZINC43664758,
AKOS011004217,
KS-6985,
MCULE-8490516205,
NE40152,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number