4-(2-Hydroxyethyl)-2,5-dimethylpyrazol-3-one - CAS 258281-02-6
Catalog: |
BB019040 |
Product Name: |
4-(2-Hydroxyethyl)-2,5-dimethylpyrazol-3-one |
CAS: |
258281-02-6 |
Synonyms: |
4-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazol-3-one; 4-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazol-3-one |
IUPAC Name: | 4-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrazol-3-one |
Description: | 4-(2-Hydroxyethyl)-2,5-dimethylpyrazol-3-one (CAS# 258281-02-6) is a useful research chemical. |
Molecular Weight: | 156.18 |
Molecular Formula: | C7H12N2O2 |
Canonical SMILES: | CC1=C(C(=O)N(N1)C)CCO |
InChI: | InChI=1S/C7H12N2O2/c1-5-6(3-4-10)7(11)9(2)8-5/h8,10H,3-4H2,1-2H3 |
InChI Key: | KAIKGPHUWGZNMW-UHFFFAOYSA-N |
MDL: | MFCD03617955 |
LogP: | -0.44340 |
Publication Number | Title | Priority Date |
EP-3365328-A1 | Pyrazolone derivatives as nitroxyl donors | 20151019 |
KR-20180063326-A | Pyrazolone derivatives as nitroxyl donors | 20151019 |
US-2018318308-A1 | Pyrazolone derivatives as nitroxyl donors | 20151019 |
WO-2017070081-A1 | Pyrazolone derivatives as nitroxyl donors | 20151019 |
US-10723704-B2 | Pyrazolone derivatives as nitroxyl donors | 20151019 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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