3-(Hydroxymethyl)pyrazole - CAS 23585-49-1

Catalog:	BB018104
Product Name:	3-(Hydroxymethyl)pyrazole
CAS:	23585-49-1
Synonyms:	1H-pyrazol-5-ylmethanol; 1H-pyrazol-5-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrazol-5-ylmethanol
Description:	3-(Hydroxymethyl)pyrazole (CAS# 23585-49-1) is a useful research chemical.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	C1=C(NN=C1)CO
InChI:	InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
InChI Key:	UIEABCXJWANXFS-UHFFFAOYSA-N
Boiling Point:	326.8 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD08436148
LogP:	-0.09800

Publication Number	Title	Priority Date
CN-113046734-A	Bivalent palladium complex solution and preparation method and application thereof	20210312
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
CN-113429410-A	Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof	20200323
WO-2021115432-A1	Novel quinazoline-containing compound, and intermediate thereof and use thereof	20191211
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821

PMID	Publication Date	Title	Journal
219196	19790401	3-Substituted pyrazole derivatives as inhibitors and inactivators of liver alcohol dehydrogenase	Journal of medicinal chemistry

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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:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6