3-Hydroxy-1-methyl-1H-pyrazole - CAS 52867-35-3
Catalog: |
BB027970 |
Product Name: |
3-Hydroxy-1-methyl-1H-pyrazole |
CAS: |
52867-35-3 |
Synonyms: |
2-methyl-1H-pyrazol-5-one |
IUPAC Name: | 2-methyl-1H-pyrazol-5-one |
Description: | 3-Hydroxy-1-methyl-1H-pyrazole (CAS# 52867-35-3) is a useful research chemical. |
Molecular Weight: | 98.10 |
Molecular Formula: | C4H6N2O |
Canonical SMILES: | CN1C=CC(=O)N1 |
InChI: | InChI=1S/C4H6N2O/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7) |
InChI Key: | WIISOYLZJJYTHT-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD21604051 |
LogP: | 0.12570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112778294-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
CN-113321645-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
CN-112062720-A | Continuous preparation method of 1-methyl-3-hydroxypyrazole-4-carboxylic acid ethyl ester | 20200910 |
WO-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
WO-2021156787-A1 | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 20200204 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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Related Functional Groups
Carbonyl Compounds
Pyrazoles
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