Ethyl 4,5-Dimethylpyrazole-3-carboxylate - CAS 15803-27-7

Catalog:	BB011388
Product Name:	Ethyl 4,5-Dimethylpyrazole-3-carboxylate
CAS:	15803-27-7
Synonyms:	4,5-dimethyl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
Description:	Ethyl 4,5-Dimethylpyrazole-3-carboxylate (CAS# 15803-27-7) is a useful research chemical compound.
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CCOC(=O)C1=NNC(=C1C)C
InChI:	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)6(3)9-10-7/h4H2,1-3H3,(H,9,10)
InChI Key:	NFKJSKVAOLQEDS-UHFFFAOYSA-N
LogP:	1.20320

Publication Number	Title	Priority Date
WO-2021009068-A1	N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme	20190712
US-10226449-B2	Heterocyclic modulators of lipid synthesis and combinations thereof	20131220
WO-2015095767-A1	Heterocyclic modulators of lipid synthesis and combinations thereof	20131220
EP-3083583-B1	Heterocyclic modulators of lipid synthesis and combinations thereof	20131220
EP-3004110-B1	Pyrazolopyrrolidine derivatives and their use in the treatment of disease	20130527

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Carbonyl Compounds

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Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.08987763
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5