2-(3-Amino-1-pyrazolyl)ethanol - CAS 84407-13-6

Catalog:	BB037192
Product Name:	2-(3-Amino-1-pyrazolyl)ethanol
CAS:	84407-13-6
Synonyms:	2-(3-amino-1-pyrazolyl)ethanol; 2-(3-aminopyrazol-1-yl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(3-aminopyrazol-1-yl)ethanol
Description:	2-(3-Amino-1-pyrazolyl)ethanol (CAS# 84407-13-6) is a reagent in the preparation of pyrazolo pyrimidines with CK2 kinase inhibitory activity.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	C1=CN(N=C1N)CCO
InChI:	InChI=1S/C5H9N3O/c6-5-1-2-8(7-5)3-4-9/h1-2,9H,3-4H2,(H2,6,7)
InChI Key:	QGJIESRUALRBPX-UHFFFAOYSA-N
Boiling Point:	337.898 °C at 760 mmHg
Density:	1.355 g/cm³
LogP:	-0.61230

Publication Number	Title	Priority Date
US-2019119285-A1	Pyrazolopyrimidinone compounds and uses thereof	20170915
US-10738056-B2	Pyrazolopyrimidinone compounds and uses thereof	20170915
EP-3645531-A1	Thiazole compounds useful as prmt5 inhibitors	20170629
US-2020123147-A1	Thiazole compounds useful as prmt5 inhibitors	20170629
WO-2019002074-A1	THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PRMT5	20170629

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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:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9