Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate - CAS 1224944-77-7

Name: Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005410
Product Name:	Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS:	1224944-77-7
Synonyms:	5-chloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester; ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

Technical Data

IUPAC Name:	ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Description:	Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS# 1224944-77-7) is used in preparation of antitumor pyrazolopyrimidine compound and it intermediates.
Molecular Weight:	225.63
Molecular Formula:	C9H8ClN3O2
Canonical SMILES:	CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl
InChI:	InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3
InChI Key:	UOZKVCQDLXBWBG-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD12407819
LogP:	1.55940

Publication Number	Title	Priority Date
WO-2021206955-A1	Macrocyclic compounds as kinases inhibitors and uses thereof	20200406
WO-2021158634-A1	Irak degraders and uses thereof	20200203
US-2021228562-A1	Irak degraders and uses thereof	20191217
CN-112979679-A	Fluoroheterocyclic derivative having macrocyclic structure and use thereof	20191213
WO-2021115401-A1	Fluorine-containing heterocyclic derivatives with macrocyclic structure and use thereof	20191213

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0305042
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.0305042
Rotatable Bond Count:	3
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5