AG00H12T

91129-95-2 | Ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate

AG00H12T

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CAS Number	91129-95-2
Catalog Number	AG00H12T(AGN-PC-0KEZFI)
Chemical Name	Ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxylate
InChI	InChI=1S/C10H11N5O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2,11H2,1H3
InChI Key	NUJVQPYZCUMBML-UHFFFAOYSA-N
MDL Number	MFCD02691657
Molecular Formula	C10H11N5O2
Molecular Weight	233.2266
SMILES	O=C(C1=C(N)N(C2=NC=CC=N2)N=C1)OCC
Synonyms	ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate, 91129-95-2, AC1M5WEQ, Oprea1_221840, SCHEMBL10557411, DTXSID40368156, ZINC3218510, 2908AF, MFCD02691657, AKOS005840288, ACN-000069, MCULE-8457661104, NE40202, PB34045, RD-0243, AJ-44774, AN-34979, DB-078910, 4CH-022356, CS-0053675, FT-0744456, ST24047075, A10834, SR-01000025652, J-521091, SR-01000025652-1, ethyl 5-amino-1-pyrimidin-2-ylpyrazole-4-carboxylate, I14-14982, Z56761516, ethyl 5-amino-1-pyrimidin-2-yl-pyrazole-4-carboxylate, ethyl5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate, C10H11N5O2, ZINC03218510, CID2337348, Ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate, 95% - 1G 1g,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.091g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.231g/mol
Monoisotopic Mass	233.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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