Ethyl 3-Iodopyrazole-4-carboxylate - CAS 827316-43-8

Catalog:	BB036892
Product Name:	Ethyl 3-Iodopyrazole-4-carboxylate
CAS:	827316-43-8
Synonyms:	5-iodo-1H-pyrazole-4-carboxylic acid ethyl ester; ethyl 5-iodo-1H-pyrazole-4-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	ethyl 5-iodo-1H-pyrazole-4-carboxylate
Description:	Ethyl 3-Iodopyrazole-4-carboxylate (CAS# 827316-43-8) is a useful research chemical.
Molecular Weight:	266.04
Molecular Formula:	C6H7IN2O2
Canonical SMILES:	CCOC(=O)C1=C(NN=C1)I
InChI:	InChI=1S/C6H7IN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChI Key:	GCZGLIKEVZAURZ-UHFFFAOYSA-N
LogP:	1.19100

Publication Number	Title	Priority Date
WO-2021055326-A1	Azole-fused pyridazin-3(2h)-one derivatives	20190916
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
KR-102274077-B1	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
KR-20200115934-A	Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same	20190329
TW-202019916-A	Treatment of liver fibrosis with calpain (CALPAIN) inhibitors	20180628

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302+H332 (66.67%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.95523
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.95523
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1