2-(1-Pyrazolyl)ethanol - CAS 6314-23-4

Catalog:	BB032027
Product Name:	2-(1-Pyrazolyl)ethanol
CAS:	6314-23-4
Synonyms:	2-(1-pyrazolyl)ethanol; 2-pyrazol-1-ylethanol

Technical Data

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Computed Properties

IUPAC Name:	2-pyrazol-1-ylethanol
Description:	2-(1-Pyrazolyl)ethanol (CAS# 6314-23-4) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	C1=CN(N=C1)CCO
InChI:	InChI=1S/C5H8N2O/c8-5-4-7-3-1-2-6-7/h1-3,8H,4-5H2
InChI Key:	DXFBKDSQMUFYLD-UHFFFAOYSA-N
Boiling Point:	236.6 °C at 760 mmHg
Density:	1.15 g/cm³
MDL:	MFCD00046076
LogP:	-0.12460

Publication Number	Title	Priority Date
WO-2021191378-A1	5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer	20200326
WO-2021041671-A1	Kras g12d inhibitors	20190829
CN-110330484-A	Replace class phenyl pyrimidine derivative as jak kinase inhibitor or its pharmaceutical salt, Preparation method and use	20190718
CN-111848572-A	Amide compound and preparation method and application thereof	20190430
WO-2020135878-A1	Imidazopyridine derivative as fgfr and vegfr dual inhibitor	20181229

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	67.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1