5-ethynyl-1H-pyrazole - CAS 23486-70-6
Catalog: |
BB018073 |
Product Name: |
5-ethynyl-1H-pyrazole |
CAS: |
23486-70-6 |
Synonyms: |
5-ethynyl-1H-pyrazole |
IUPAC Name: | 5-ethynyl-1H-pyrazole |
Description: | 5-ethynyl-1H-pyrazole (CAS# 23486-70-6) is a useful research chemical. |
Molecular Weight: | 92.10 |
Molecular Formula: | C5H4N2 |
Canonical SMILES: | C#CC1=CC=NN1 |
InChI: | InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7) |
InChI Key: | KUOWLAMMSCRRFS-UHFFFAOYSA-N |
LogP: | 0.39100 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
CN-106661031-B | Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it | 20140624 |
AU-2015231413-A1 | Heterocyclic compounds for use in the treatment of PI3K-gamma mediated disorders | 20140319 |
AU-2015231413-B2 | Heterocyclic compounds for use in the treatment of PI3K-gamma mediated disorders | 20140319 |
Complexity: | 99.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 92.037448136 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 92.037448136 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Pyrazoles
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