| CAS Number | 1820650-04-1 |
| Catalog Number | AG01AN0C |
| Chemical Name | 3,5-Dimethyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole |
| IUPAC Name | 3,5-dimethyl-1-(oxan-2-yl)pyrazole |
| InChI | InChI=1S/C10H16N2O/c1-8-7-9(2)12(11-8)10-5-3-4-6-13-10/h7,10H,3-6H2,1-2H3 |
| InChI Key | YWAVFDMTWPVVHO-UHFFFAOYSA-N |
| MDL Number | MFCD29034099 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | CC1=NN(C2OCCCC2)C(C)=C1 |
| Synonyms | 3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole,
1820650-04-1,
SCHEMBL14726450,
AKOS033806169,
Z2217315159,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number