5-(Hydroxymethyl)-1-methylpyrazole - CAS 84547-61-5

Catalog:	BB037229
Product Name:	5-(Hydroxymethyl)-1-methylpyrazole
CAS:	84547-61-5
Synonyms:	(2-methyl-3-pyrazolyl)methanol; (2-methylpyrazol-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-methylpyrazol-3-yl)methanol
Description:	5-(Hydroxymethyl)-1-methylpyrazole (CAS# 84547-61-5) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CN1C(=CC=N1)CO
InChI:	InChI=1S/C5H8N2O/c1-7-5(4-8)2-3-6-7/h2-3,8H,4H2,1H3
InChI Key:	WQFOGLYQVFBDEY-UHFFFAOYSA-N
Boiling Point:	243.6 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD08556301
LogP:	-0.08760

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-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
WO-2021157563-A1	Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium	20200207
WO-2021158936-A1	Pyrrolo [2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss	20200205
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	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:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6