Home Carboxys 1-Benzyl-3-(3,4-dimethoxyphenyl)-1h-pyrazole-4-carboxylic acid

1-Benzyl-3-(3,4-dimethoxyphenyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
956756-38-0
Catalog Number:
AG00IJC1
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
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Product Description
Catalog Number:
AG00IJC1
Chemical Name:
1-Benzyl-3-(3,4-dimethoxyphenyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
956756-38-0
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
MDL Number:
MFCD06372761
IUPAC Name:
1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C19H18N2O4/c1-24-16-9-8-14(10-17(16)25-2)18-15(19(22)23)12-21(20-18)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,22,23)
InChI Key:
YCNWUPUPMGWWAU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nn(cc1C(=O)O)Cc1ccccc1
Properties
Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties