1-(1-Methyl-1H-pyrazol-4-yl)ethanone - CAS 37687-18-6

Catalog:	BB023388
Product Name:	1-(1-Methyl-1H-pyrazol-4-yl)ethanone
CAS:	37687-18-6
Synonyms:	1-(1-methyl-4-pyrazolyl)ethanone; 1-(1-methylpyrazol-4-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(1-methylpyrazol-4-yl)ethanone
Description:	1-(1-Methyl-1H-pyrazol-4-yl)ethanone can be used as anticancer agents.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CC(=O)C1=CN(N=C1)C
InChI:	InChI=1S/C6H8N2O/c1-5(9)6-3-7-8(2)4-6/h3-4H,1-2H3
InChI Key:	PINVCRAZGLSROU-UHFFFAOYSA-N
Boiling Point:	221 °C at 760 mmHg
Density:	1.11 g/cm³
MDL:	MFCD00159640
LogP:	0.62270

Publication Number	Title	Priority Date
WO-2021068953-A1	Substituted tricyclic compound as prmt5 inhibitor and use thereof	20191012
WO-2020207476-A1	Pyrazolopyrazine derived compounds, pharmaceutical composition and use thereof	20190412
WO-2020146858-A1	Heteroaryl compounds as necrosis inhibitors, composition and method using the same	20190111
CN-110294747-B	Isoxazoline derivatives and their use in agriculture	20180323
CN-110914271-A	Bicyclic ketone compounds and methods of use thereof	20170714

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Related Functional Groups

Carbonyl Compounds

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[253429-30-0]
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[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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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:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.063662883
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1