Home Carboxys 1-benzyl-3-(2-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

1-benzyl-3-(2-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
956354-20-4
Catalog Number:
AG00IJ9W
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
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Product Description
Catalog Number:
AG00IJ9W
Chemical Name:
1-benzyl-3-(2-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
956354-20-4
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
MDL Number:
MFCD06378219
IUPAC Name:
1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C18H16N2O3/c1-23-16-10-6-5-9-14(16)17-15(18(21)22)12-20(19-17)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22)
InChI Key:
VNWXVSPXKCCXQN-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nn(cc1C(=O)O)Cc1ccccc1
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties