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Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate

Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate - CAS 23705-85-3

Catalog:	BB018158
Product Name:	Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate
CAS:	23705-85-3
Synonyms:	4-hydroxy-1H-pyrazole-3,5-dicarboxylic acid dimethyl ester; dimethyl 4-hydroxy-1H-pyrazole-3,5-dicarboxylate

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Computed Properties

IUPAC Name:	dimethyl 4-hydroxy-1H-pyrazole-3,5-dicarboxylate
Description:	Dimethyl 4-Hydroxypyrazole-3,5-dicarboxylate (CAS# 23705-85-3) is a useful research chemical.
Molecular Weight:	200.15
Molecular Formula:	C7H8N2O5
Canonical SMILES:	COC(=O)C1=C(C(=NN1)C(=O)OC)O
InChI:	InChI=1S/C7H8N2O5/c1-13-6(11)3-5(10)4(9-8-3)7(12)14-2/h10H,1-2H3,(H,8,9)
InChI Key:	FBZGCRCSPADZHL-UHFFFAOYSA-N
LogP:	-0.31150

Publication Number	Title	Priority Date
US-2017081331-A1	Pyrazolopyrazines and their use in the treatment, amelioration or prevention of a viral disease	20150918
WO-2017046362-A1	Pyrazolopyrazines and their use in the treatment, amelioration or prevention of a viral disease	20150918

PMID	Publication Date	Title	Journal
22917519	20120915	Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C)	Bioorganic & medicinal chemistry letters

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Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.04332136
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.04332136
Rotatable Bond Count:	4
Topological Polar Surface Area:	102
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8