1,2-Dihydro-3H-pyrazol-3-one - CAS 137-45-1

Catalog:	BB008569
Product Name:	1,2-Dihydro-3H-pyrazol-3-one
CAS:	137-45-1
Synonyms:	1,2-dihydropyrazol-3-one; 1,2-dihydropyrazol-3-one

Technical Data

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Computed Properties

IUPAC Name:	1,2-dihydropyrazol-3-one
Description:	1,2-Dihydro-3H-pyrazol-3-one (CAS# 137-45-1) is a useful research chemical.
Molecular Weight:	84.08
Molecular Formula:	C3H4N2O
Canonical SMILES:	C1=CNNC1=O
InChI:	InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)
InChI Key:	XBYRMPXUBGMOJC-UHFFFAOYSA-N
Boiling Point:	326.1 °C at 760 mmHg
Density:	1.191 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	-0.29700

Publication Number	Title	Priority Date
CN-112375072-A	Pyrazolone derivative, injection and application thereof	20200928
CN-112375072-B	Pyrazolone derivative, injection and application thereof	20200928
CN-112513048-A	Sulfonylimide compounds as inhibitors of interleukin-1 activity	20180720
BR-112021001044-A2	SULPHONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY	20180720
US-2021253596-A1	Sulfonimidamide compounds as inhibitors of interleukin-1 activity	20180720

PMID	Publication Date	Title	Journal
22516425	20120701	Synthesis and characterization of some new complexes of Cu(II), Ni(II) and V(IV) with Schiff base derived from indole-3-carboxaldehyde. Biological activity on prokaryotes and eukaryotes	European journal of medicinal chemistry
22798886	20120701	3-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzonitrile	Acta crystallographica. Section E, Structure reports online
22589014	20120618	Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole-based ruthenium(IV) complexes in water: mechanisms of bifunctional catalysis in water	Chemistry (Weinheim an der Bergstrasse, Germany)
22594255	20120501	Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives	Acta poloniae pharmaceutica
22412700	20120301	1-[5-(2-Chloro-phen-yl)-5-hy-droxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-ethanone	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[957292-12-5]
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[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1184994-08-8]
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[1431964-06-5]
3-[(4-Aminopyrazol-1-yl)methyl]-4-methoxybenzoic acid hydrochloride

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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:	97
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.032362755
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	84.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3