3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile - CAS 330792-70-6
Catalog: |
BB021547 |
Product Name: |
3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile |
CAS: |
330792-70-6 |
Synonyms: |
3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile; 3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile |
Description: | 3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole has been used as a reactant in the preparation of ring-fused pyrazole derivatives to be used a inhibitors of lymphocyte-specific kinase (Lck). |
Molecular Weight: | 276.29 |
Molecular Formula: | C16H12N4O |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=NN3)N)C#N |
InChI: | InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20) |
InChI Key: | HNIMEQCLCNSCGH-UHFFFAOYSA-N |
LogP: | 3.25298 |
Publication Number | Title | Priority Date |
CN-113004203-A | Relevant substance of ibrutinib core fragment and synthetic method thereof | 20210305 |
US-2020368237-A1 | Treatment of indolent or aggressive b-cell lymphomas using a combination comprising btk inhibitors | 20171129 |
CN-108727230-B | Ibrutinib intermediate and preparation method thereof | 20170421 |
WO-2018137681-A1 | Crystalline forms of (s) -7- (1- (but-2-ynoyl) piperidin-4-yl) -2- (4-phenoxyphenyl) -4, 5, 6, 7-tetrahy dropyrazolo [1, 5-a] pyrimidine-3-carboxamide, preparation, and uses thereof | 20170125 |
US-2021332049-A1 | CRYSTALLINE FORMS OF (S)-7-(1-(BUT-2-YNOYL)PIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF | 20170125 |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.10111102 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.10111102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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