Home Carboxys ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate

ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:
91129-95-2
Catalog Number:
AG00H12T
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
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Product Description
Catalog Number:
AG00H12T
Chemical Name:
ethyl 5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxylate
CAS Number:
91129-95-2
Molecular Formula:
C10H11N5O2
Molecular Weight:
233.2266
MDL Number:
MFCD02691657
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
SMILES:
CCOC(=O)c1cnn(c1N)c1ncccn1
Properties
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  
Properties