2-(4-Pyrazolyl)ethylamine - CAS 42150-24-3

Catalog:	BB025063
Product Name:	2-(4-Pyrazolyl)ethylamine
CAS:	42150-24-3
Synonyms:	2-(1H-pyrazol-4-yl)ethanamine; 2-(1H-pyrazol-4-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-pyrazol-4-yl)ethanamine
Description:	2-(4-Pyrazolyl)ethylamine (CAS# 42150-24-3) is a useful research chemical.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	C1=C(C=NN1)CCN
InChI:	InChI=1S/C5H9N3/c6-2-1-5-3-7-8-4-5/h3-4H,1-2,6H2,(H,7,8)
InChI Key:	FUIJRCNCJHRODM-UHFFFAOYSA-N
Boiling Point:	284.1 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD09800617
LogP:	0.61120

Publication Number	Title	Priority Date
AU-2016334637-A1	2-oxo-1,2-dihydropyridine-3,5-dicarboxamide compounds as bromodomain inhibitors	20151005
EP-3359531-A1	2-oxo-1,2-dihydropyridine-3,5-dicarboxamide compounds as bromodomain inhibitors	20151005
JP-2018529737-A	2-oxo-1,2-dihydropyridine-3,5-dicarboxamide compounds as bromodomain inhibitors	20151005
KR-20180059551-A	2-oxo-1,2-dihydropyridine-3,5-dicarboxamide compound as a bromo domain inhibitor	20151005
US-10471050-B2	2-OXO-1,2-dihydropyridine-3,5-dicarboxamide compounds as bromodomain inhibitors	20151005

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Related Functional Groups

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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:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.079647300
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.079647300
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1