Home Carboxys ethyl 1-ethyl-5-phenyl-1H-pyrazole-4-carboxylate

ethyl 1-ethyl-5-phenyl-1H-pyrazole-4-carboxylate

CAS No.:
1500755-50-9
Catalog Number:
AG01BDO0
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
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Product Description
Catalog Number:
AG01BDO0
Chemical Name:
ethyl 1-ethyl-5-phenyl-1H-pyrazole-4-carboxylate
CAS Number:
1500755-50-9
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD28064271
IUPAC Name:
ethyl 1-ethyl-5-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O2/c1-3-16-13(11-8-6-5-7-9-11)12(10-15-16)14(17)18-4-2/h5-10H,3-4H2,1-2H3
InChI Key:
KALWQRARYOKRFI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1c1ccccc1)CC
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties