Ethyl 3,5-Dimethylpyrazole-4-carboxylate - CAS 35691-93-1

Catalog:	BB022729
Product Name:	Ethyl 3,5-Dimethylpyrazole-4-carboxylate
CAS:	35691-93-1
Synonyms:	3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Description:	Ethyl 3,5-Dimethylpyrazole-4-carboxylate (CAS# 35691-93-1) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CCOC(=O)C1=C(NN=C1C)C
InChI:	InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
InChI Key:	BCKARVLFIJPHQU-UHFFFAOYSA-N
Boiling Point:	284.8 °C at 760 mmHg
Density:	1.136 g/cm³
Appearance:	Solid
MDL:	MFCD00159638
LogP:	1.20320

Publication Number	Title	Priority Date
WO-2021203014-A1	Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021055621-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021028382-A1	[1,2,4]triazolo[1,5-c]quinazolin-5-amines	20190812
TW-201925413-A	Chemical mechanical polishing composition	20171122

PMID	Publication Date	Title	Journal
15685167	20050201	A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design	Nature biotechnology

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.089877630
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.089877630
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2