Methyl 1-Methylpyrazole-3-carboxylate - CAS 17827-61-1

Catalog:	BB013439
Product Name:	Methyl 1-Methylpyrazole-3-carboxylate
CAS:	17827-61-1
Synonyms:	1-methyl-3-pyrazolecarboxylic acid methyl ester; methyl 1-methylpyrazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-methylpyrazole-3-carboxylate
Description:	Methyl 1-Methylpyrazole-3-carboxylate (CAS# 17827-61-1) is a useful research chemical compound.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CN1C=CC(=N1)C(=O)OC
InChI:	InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
InChI Key:	WUUOFOYBXXQAGD-UHFFFAOYSA-N
Boiling Point:	221.6 °C at 760 mmHg
Density:	1.18 g/cm³
MDL:	MFCD04967358
LogP:	0.20670

Publication Number	Title	Priority Date
WO-2021078020-A1	Small molecule compound	20191024
WO-2021022186-A1	Deuterated mk2 pathway inhibitors and methods of using the same	20190731
WO-2021018173-A1	Adenosine receptor antagonist	20190730
WO-2020247475-A1	Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer	20190605
WO-2020219448-A1	Naphthyridine derivatives as prc2 inhibitors	20190422

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4