4-Bromo-1-tritylpyrazole - CAS 95162-14-4

Catalog:	BB041626
Product Name:	4-Bromo-1-tritylpyrazole
CAS:	95162-14-4
Synonyms:	4-bromo-1-(triphenylmethyl)pyrazole; 4-bromo-1-tritylpyrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-1-tritylpyrazole
Description:	4-Bromo-1-tritylpyrazole (CAS# 95162-14-4) is a useful research chemical.
Molecular Weight:	389.29
Molecular Formula:	C22H17BrN2
Canonical SMILES:	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C=N4)Br
InChI:	InChI=1S/C22H17BrN2/c23-21-16-24-25(17-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChI Key:	CPENTLJGGGSVAJ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD09907863
LogP:	5.48580

Publication Number	Title	Priority Date
WO-2020208139-A1	Inhibitors of notch signalling pathway and use thereof in treatment of cancers	20190410
TW-202104166-A	Inhibitors of notch signalling pathway and use thereof in treatment of cancers	20190410
WO-2020112706-A1	7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE	20181130
EP-3887377-A1	7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130
KR-20210097152-A	7-, 8- and 10-substituted amino triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof	20181130

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Complexity:	363
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	388.05751
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	388.05751
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7