AG000H57

115932-00-8 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester

AG000H57

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CAS Number	115932-00-8
Catalog Number	AG000H57(AGN-PC-0LW9CF)
Chemical Name	Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester
IUPAC Name	ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI	InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3
InChI Key	JEMAMNBFHPIPCR-UHFFFAOYSA-N
MDL Number	MFCD00847745
Molecular Formula	C9H9N3O2
Molecular Weight	191.1867
SMILES	O=C(C1=C2N=CC=CN2N=C1)OCC
Synonyms	ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate, 115932-00-8, Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester, Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, ethyl ester, MFCD00847745, F2135-1084, ETHYL PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE,, AC1ODUYY, PubChem20847, ethylpyrazolo[1,5-a]pyrimidine-3-carboxylate, SCHEMBL16718858, CTK6F7304, DTXSID00427354, JEMAMNBFHPIPCR-UHFFFAOYSA-N, ALBB-009790, KS-000006PU, ZINC2570759, QC-252, STK312787, AKOS000310226, CS-W000737, DS-2908, MCULE-5551828717, PB12712, RTR-061411, AJ-41869, AK-28184, AM807348, CJ-09901, SC-68513, AB0047232, TR-061411, 3-(Ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine, ST24047187, ST45091917, EN300-82180, Q-1194, Ethyl pyrazolo[1,5-a]pyrim-idine-3-carboxylate, ethyl 8-hydropyrazolo[1,5-a]pyrimidine-3-carboxylate, Ethyl pyrazolo[1,5-a]pyrim-idine-3-carboxylate, 99%, I14-13071, Z358488862, ZINC02570759, ACN-038841, CID7021267, 1022920-59-7,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.19g/mol
Monoisotopic Mass	191.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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