1-Methyl-1H-pyrazole-4-ethanol - CAS 176661-75-9

Catalog:	BB013238
Product Name:	1-Methyl-1H-pyrazole-4-ethanol
CAS:	176661-75-9
Synonyms:	2-(1-methyl-4-pyrazolyl)ethanol; 2-(1-methylpyrazol-4-yl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(1-methylpyrazol-4-yl)ethanol
Description:	1-Methyl-1H-pyrazole-4-ethanol (CAS# 176661-75-9) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C6H10N2O
Canonical SMILES:	CN1C=C(C=N1)CCO
InChI:	InChI=1S/C6H10N2O/c1-8-5-6(2-3-9)4-7-8/h4-5,9H,2-3H2,1H3
InChI Key:	ZQEOCSYOGWFPTB-UHFFFAOYSA-N
Boiling Point:	247.4 °C at 760 mmHg
Density:	1.12 g/cm³
MDL:	MFCD09864193
LogP:	-0.04510

Publication Number	Title	Priority Date
WO-2021176366-A1	Inhibitors of human immunodeficiency virus replication	20200306
WO-2021163727-A1	Pikfyve kinase inhibitors	20200211
WO-2021041671-A1	Kras g12d inhibitors	20190829
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US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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GHS Hazard Statement:	H302 (50%): 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:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.079312947
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2