Home Carboxys 1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester

1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester

CAS No.:
741717-60-2
Catalog Number:
AG00ICHJ
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG00ICHJ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-, ethyl ester
CAS Number:
741717-60-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD27928197
IUPAC Name:
ethyl 1-pyridin-3-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h3-8H,2H2,1H3
InChI Key:
HTSHJGDGVAEYCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1cccnc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties