5-Hydroxy-1,3-dimethylpyrazole - CAS 5203-77-0

Catalog:	BB027690
Product Name:	5-Hydroxy-1,3-dimethylpyrazole
CAS:	5203-77-0
Synonyms:	2,5-dimethyl-1H-pyrazol-3-one; 2,5-dimethyl-1H-pyrazol-3-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,5-dimethyl-1H-pyrazol-3-one
Description:	5-Hydroxy-1,3-dimethylpyrazole (CAS# 5203-77-0) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CC1=CC(=O)N(N1)C
InChI:	InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3
InChI Key:	JXPVQFCUIAKFLT-UHFFFAOYSA-N
Boiling Point:	225.905 °C at 760 mmHg
Density:	1.178 g/cm³
Appearance:	Solid
MDL:	MFCD00129673
LogP:	0.43410

Publication Number	Title	Priority Date
WO-2021180193-A1	Pyrazole carboxylate compound and use thereof	20200313
CN-113354585-A	Synthesis of novel EP4 antagonists and their use in cancer and inflammation	20200304
WO-2021175283-A1	Synthesis of novel ep4 antagonist and use in cancers and inflammations	20200304
CN-112939958-A	Condensed ring acyl compound and application thereof	20191210
EP-3828159-A1	Storage and transport stabilizers for polymerizable compounds	20191128

PMID	Publication Date	Title	Journal
21361313	20110401	Synthesis of N-confused porphyrin derivatives with a substituted 3-C position	The Journal of organic chemistry
21139328	20110101	Pulse radiolysis study on free radical scavenger edaravone (3-methyl-1-phenyl-2-pyrazolin-5-one). 2: A comparative study on edaravone derivatives	Journal of radiation research

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Related Functional Groups

Pyrazoles

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1-Cyclopentyl-5-nitro-1H-pyrazole
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2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	151
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:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3