Name: Name:1-Benzyl-3-(3,4-dimethoxyphenyl)-1h-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00IJC1
Rating: 90 (10 reviews)

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

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

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.363g/mol

Monoisotopic Mass:

338.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: