4'-(1-Pyrazolyl)acetophenone - CAS 25699-98-3

Catalog:	BB019013
Product Name:	4'-(1-Pyrazolyl)acetophenone
CAS:	25699-98-3
Synonyms:	1-[4-(1-pyrazolyl)phenyl]ethanone; 1-(4-pyrazol-1-ylphenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-pyrazol-1-ylphenyl)ethanone
Description:	4'-(1-Pyrazolyl)acetophenone (CAS# 25699-98-3) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C11H10N2O
Canonical SMILES:	CC(=O)C1=CC=C(C=C1)N2C=CC=N2
InChI:	InChI=1S/C11H10N2O/c1-9(14)10-3-5-11(6-4-10)13-8-2-7-12-13/h2-8H,1H3
InChI Key:	SGXKUEXZFMNYRE-UHFFFAOYSA-N
Boiling Point:	323.453 °C at 760 mmHg
Density:	1.132 g/cm³
LogP:	2.07490

Publication Number	Title	Priority Date
WO-2020035065-A1	Pyrazole derivative as ret inhibitor	20180817
WO-2019156439-A1	Compounds for inhibiting tnik and medical uses thereof	20180207
AU-2019217094-A1	Compounds for inhibiting TNIK and medical uses thereof	20180207
EP-3749648-A1	Compounds for inhibiting tnik and medical uses thereof	20180207
US-2021047277-A1	Compounds for inhibiting tnik and medical uses thereof	20180207

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.079312947
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	34.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9