1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethanone - CAS 1123-48-4
Catalog: |
BB067316 |
Product Name: |
1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethanone |
CAS: |
1123-48-4 |
Synonyms: |
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone; 4-acetyl-3,5-dimethylpyrazole; 1-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethanone; Ethanone,1-(3,5-dimethyl-1H-pyrazol-4-yl)- |
IUPAC Name: | 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone |
Description: | 1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethanone can be used to treat and prevent ophthalmic diseases. |
Molecular Weight: | 138.16 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CC1=C(C(=NN1)C)C(=O)C |
InChI: | InChI=1S/C7H10N2O/c1-4-7(6(3)10)5(2)9-8-4/h1-3H3,(H,8,9) |
InChI Key: | XVFAWYIDDRHPNV-UHFFFAOYSA-N |
Solubility: | DMSO (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | Light Yellow to Light Beige Solid |
Storage: | -20°C, Hygroscopic |
References: | Kaushal, S., et.al. WIPO WO2008013984 A2,(2008). |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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