Name: Name:4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00IU5Q
Rating: 90 (10 reviews)

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

CAS No.:

956705-43-4

Catalog Number:

AG00IU5Q

Molecular Formula:

C18H16N2O4

Molecular Weight:

324.3306

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Product Description

Catalog Number:

AG00IU5Q

Chemical Name:

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

CAS Number:

956705-43-4

Molecular Formula:

C18H16N2O4

Molecular Weight:

324.3306

MDL Number:

MFCD03848546

IUPAC Name:

4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C18H16N2O4/c1-23-15-9-8-12(10-16(15)24-2)14-11-20(19-17(14)18(21)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)

InChI Key:

MSYZXDXEOGMMEE-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)c1cn(nc1C(=O)O)c1ccccc1

Properties

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.336g/mol

Monoisotopic Mass:

324.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501