| CAS Number | 956951-04-5 |
| Catalog Number | AG005Z08(AGN-PC-0WB3DK) |
| Chemical Name | 1-(5-methyl-1-propyl-1H-pyrazol-4-yl)ethanone |
| IUPAC Name | 1-(5-methyl-1-propylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C9H14N2O/c1-4-5-11-7(2)9(6-10-11)8(3)12/h6H,4-5H2,1-3H3 |
| InChI Key | HNHSSZURMHIKRN-UHFFFAOYSA-N |
| MDL Number | MFCD03167211 |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.2203 |
| SMILES | C1(C(C)=O)C=NN(CCC)C=1C |
| Synonyms | 1-(5-methyl-1-propyl-1H-pyrazol-4-yl)ethanone,
956951-04-5,
SCHEMBL13126454,
CTK5H7954,
DTXSID30585895,
ZINC2390443,
BBL029898,
MFCD03167211,
STL373404,
AKOS000310496,
MCULE-4051724401,
AJ-35680,
DB-029217,
FT-0741893,
Y-0162,
1-(5-Methyl-1-propyl-1H-pyrazol-4-yl)ethan-1-one,
1-(5-METHYL-1-PROPYL-1H-PYRAZOL-4-YL)-ETHANONE,
(3-bromobenzyl)ethylamine,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.224g/mol |
| Monoisotopic Mass | 166.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number