Ethyl 4-(1-Pyrazolyl)benzoate - CAS 143426-47-5

Catalog:	BB009598
Product Name:	Ethyl 4-(1-Pyrazolyl)benzoate
CAS:	143426-47-5
Synonyms:	4-(1-pyrazolyl)benzoic acid ethyl ester; ethyl 4-pyrazol-1-ylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-pyrazol-1-ylbenzoate
Description:	Ethyl 4-(1-Pyrazolyl)benzoate (CAS# 143426-47-5) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)N2C=CC=N2
InChI:	InChI=1S/C12H12N2O2/c1-2-16-12(15)10-4-6-11(7-5-10)14-9-3-8-13-14/h3-9H,2H2,1H3
InChI Key:	OJGQSNIJSFGVJG-UHFFFAOYSA-N
Boiling Point:	333.2 °C at 760 mmHg
Density:	1.15 g/cm³
LogP:	2.04900

Publication Number	Title	Priority Date
AU-2015250610-A1	Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease	20140423
CA-2946519-A1	Isoindoline-1-one derivatives as cholinergic muscarinic m1 receptor positive alloesteric modulator activity for the treatment of alzheimers disease	20140423
EP-3134386-A1	Isoindoline-1-one derivatives as cholinergic muscarinic m1 receptor positive alloesteric modulator activity for the treatment of alzheimers disease	20140423
EP-3134386-B1	Isoindoline-1-one derivatives as cholinergic muscarinic m1 receptor positive alloesteric modulator activity for the treatment of alzheimers disease	20140423
US-10457670-B2	Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease	20140423

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Related Functional Groups

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.08987763
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.08987763
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4