1-Ethyl-4-iodopyrazole - CAS 172282-34-7

Catalog:	BB012805
Product Name:	1-Ethyl-4-iodopyrazole
CAS:	172282-34-7
Synonyms:	1-ethyl-4-iodopyrazole; 1-ethyl-4-iodopyrazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-ethyl-4-iodopyrazole
Description:	1-Ethyl-4-iodopyrazole (CAS# 172282-34-7) is a useful research chemical.
Molecular Weight:	222.03
Molecular Formula:	C5H7IN2
Canonical SMILES:	CCN1C=C(C=N1)I
InChI:	InChI=1S/C5H7IN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChI Key:	XWZIDZDMNYAEOP-UHFFFAOYSA-N
Boiling Point:	239.616 °C at 760 mmHg
Density:	1.908 g/cm³
MDL:	MFCD13195706
LogP:	1.50760

Publication Number	Title	Priority Date
AU-2016330029-A1	Isoindolinone inhibitors of the MDM2-p53 interaction having anticancer activity	20150929
CA-2999395-A1	Isoindolinone inhibitors of the mdm2-p53 interaction having anticancer activity	20150929
EP-3356344-A1	Isoindolinone inhibitors of the mdm2-p53 interaction having anticancer activity	20150929
JP-2018535927-A	Isoindolinone inhibitor of MDM2-P53 interaction having anticancer activity	20150929
KR-20180081485-A	Isoindolinone inhibitor of MDM2-P53 interaction with anticancer activity	20150929

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.96540
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.96540
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2