1-(5-Methyl-1H-pyrazol-4-yl)ethanone - CAS 105224-04-2
Catalog: |
BB001583 |
Product Name: |
1-(5-Methyl-1H-pyrazol-4-yl)ethanone |
CAS: |
105224-04-2 |
Synonyms: |
1-(5-methyl-1H-pyrazol-4-yl)ethanone |
IUPAC Name: | 1-(5-methyl-1H-pyrazol-4-yl)ethanone |
Description: | 1-(5-Methyl-1H-pyrazol-4-yl)ethanone (CAS# 105224-04-2 ) is a useful research chemical. |
Molecular Weight: | 124.14 |
Molecular Formula: | C6H8N2O |
Canonical SMILES: | CC1=C(C=NN1)C(=O)C |
InChI: | InChI=1S/C6H8N2O/c1-4-6(5(2)9)3-7-8-4/h3H,1-2H3,(H,7,8) |
InChI Key: | MITHGUSEVJOZDH-UHFFFAOYSA-N |
LogP: | 0.92070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021027503-A1 | Tricyclic compound, preparation method therefor, and intermediate and use thereof | 20190812 |
WO-2020018434-A1 | Compositions and methods for disrupting a macrophage network | 20180717 |
US-10562907-B2 | TYK2 inhibitors and uses thereof | 20170728 |
US-10570145-B2 | TYK2 inhibitors and uses thereof | 20170728 |
US-10577373-B2 | TYK2 inhibitors and uses thereof | 20170728 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Related Functional Groups
Pyrazoles
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