Methyl 3-Ethylpyrazole-5-carboxylate - CAS 834869-10-2

Catalog:	BB037030
Product Name:	Methyl 3-Ethylpyrazole-5-carboxylate
CAS:	834869-10-2
Synonyms:	5-ethyl-1H-pyrazole-3-carboxylic acid methyl ester; methyl 5-ethyl-1H-pyrazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-ethyl-1H-pyrazole-3-carboxylate
Description:	Methyl 3-Ethylpyrazole-5-carboxylate (CAS# 834869-10-2) is a useful research chemical.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CCC1=CC(=NN1)C(=O)OC
InChI:	InChI=1S/C7H10N2O2/c1-3-5-4-6(9-8-5)7(10)11-2/h4H,3H2,1-2H3,(H,8,9)
InChI Key:	BNHJTPCDNQDUPI-UHFFFAOYSA-N
Boiling Point:	308.5 °C at 760 mmHg
Density:	1.17 g/cm³
MDL:	MFCD08236689
LogP:	0.75870

Publication Number	Title	Priority Date
US-2015105252-A1	Substituted pyrazoles as herbicides	20131015
AU-2004259133-A1	Nicotinamide derivatives useful as PDE4 inhibitors	20030725
AU-2004259526-A1	Nicotinamide derivatives useful as PDE4 inhibitors	20030725
CA-2533624-A1	Nicotinamide derivatives useful as pde4 inhibitors	20030725
DE-602004004794-T2	NICOTINAMIDE DERIVATIVES USE AS PDE4 INHIBITORS	20030725

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
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[1383427-98-2]
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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2