4-(Hydroxymethyl)pyrazole - CAS 25222-43-9

Catalog:	BB018803
Product Name:	4-(Hydroxymethyl)pyrazole
CAS:	25222-43-9
Synonyms:	1H-pyrazol-4-ylmethanol; 1H-pyrazol-4-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrazol-4-ylmethanol
Description:	4-(Hydroxymethyl)pyrazole (CAS# 25222-43-9) is a useful research chemical.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	C1=C(C=NN1)CO
InChI:	InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)
InChI Key:	JRMKJOOJKCAEJK-UHFFFAOYSA-N
Boiling Point:	326.8 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD06797673
LogP:	-0.09800

Publication Number	Title	Priority Date
CN-113046734-A	Bivalent palladium complex solution and preparation method and application thereof	20210312
WO-2020263832-A1	E3 ligase binders and uses thereof	20190624
US-2020399258-A1	Benzisoxazole Sulfonamide Derivatives	20190618
WO-2020254946-A1	Benzisoxazole sulfonamide derivatives	20190618
WO-2020260857-A1	Hydroxamate compounds as antagonists of the adenosine a2a receptor	20190613

PMID	Publication Date	Title	Journal
20031406	20100201	Synthesis and evaluation of two series of 4'-aza-carbocyclic nucleosides as adenosine A2A receptor agonists	Bioorganic & medicinal chemistry letters
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:	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:	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:	0.2