4-Cyano-1-phenylpyrazole - CAS 709-04-6
Catalog: |
BB034263 |
Product Name: |
4-Cyano-1-phenylpyrazole |
CAS: |
709-04-6 |
Synonyms: |
1-phenylpyrazole-4-carbonitrile |
IUPAC Name: | 1-phenylpyrazole-4-carbonitrile |
Description: | 4-Cyano-1-phenylpyrazole (CAS# 709-04-6) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C10H7N3 |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C=N2)C#N |
InChI: | InChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H |
InChI Key: | QXUOMWCBAUSGQT-UHFFFAOYSA-N |
Boiling Point: | 321.197 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.137 g/cm3 |
LogP: | 1.74398 |
Publication Number | Title | Priority Date |
CN-111868035-A | Substituted pyrazole FFA4/GPR120 receptor agonists | 20180315 |
JP-2021517142-A | Substituted pyrazole FFA4 / GPR120 receptor agonist | 20180315 |
US-10336731-B2 | Substituted 1H-indole-2-carboxamide compounds as indoleamine-2,3-dioxygenase inhibitors | 20150916 |
WO-2017048612-A1 | Pharmaceutical compound | 20150916 |
WO-2015143653-A1 | TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF | 20140326 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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