4-Phenyl-1H-pyrazole-3-carbonitrile - CAS 21673-04-1
Catalog: |
BB017065 |
Product Name: |
4-Phenyl-1H-pyrazole-3-carbonitrile |
CAS: |
21673-04-1 |
Synonyms: |
4-phenyl-1H-pyrazole-5-carbonitrile; 4-phenyl-1H-pyrazole-5-carbonitrile |
IUPAC Name: | 4-phenyl-1H-pyrazole-5-carbonitrile |
Description: | 4-Phenyl-1H-pyrazole-3-carbonitrile (CAS# 21673-04-1 ) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C10H7N3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(NN=C2)C#N |
InChI: | InChI=1S/C10H7N3/c11-6-10-9(7-12-13-10)8-4-2-1-3-5-8/h1-5,7H,(H,12,13) |
InChI Key: | UKUOCGFYSINYSA-UHFFFAOYSA-N |
LogP: | 1.94838 |
Publication Number | Title | Priority Date |
AU-2018374849-A1 | Endoparasitic depsipeptides | 20171129 |
WO-2019108591-A1 | Endoparasitic depsipeptides | 20171129 |
BR-112020010399-A2 | endoparasitic depsipeptides | 20171129 |
CN-111741956-A | Antiparasitic depsipeptides | 20171129 |
EP-3717478-A1 | Endoparasitic depsipeptides | 20171129 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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