Home Carboxys 3-(2,5-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

3-(2,5-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
956386-16-6
Catalog Number:
AG00IJA0
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
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Product Description
Catalog Number:
AG00IJA0
Chemical Name:
3-(2,5-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
956386-16-6
Molecular Formula:
C18H16N2O4
Molecular Weight:
324.3306
MDL Number:
MFCD06357828
IUPAC Name:
3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C18H16N2O4/c1-23-13-8-9-16(24-2)14(10-13)17-15(18(21)22)11-20(19-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22)
InChI Key:
XXPRPKAYBHGUQB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1nn(cc1C(=O)O)c1ccccc1)OC
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.111g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
324.336g/mol
Monoisotopic Mass:
324.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties