Home Carboxys ethyl 3-(pyridin-2-yl)-1H-pyrazole-4-carboxylate

ethyl 3-(pyridin-2-yl)-1H-pyrazole-4-carboxylate

CAS No.:
1188263-92-4
Catalog Number:
AG01BBWY
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG01BBWY
Chemical Name:
ethyl 3-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CAS Number:
1188263-92-4
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD11865104
IUPAC Name:
ethyl 5-pyridin-2-yl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2/c1-2-16-11(15)8-7-13-14-10(8)9-5-3-4-6-12-9/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
IAVCFEOWVSQKHX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1c1ccccn1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties