Name: Name:3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019XT2
Rating: 90 (10 reviews)

3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:

955972-16-4

Catalog Number:

AG019XT2

Molecular Formula:

C20H20N2O3

Molecular Weight:

336.3844

Catalog Number:

AG019XT2

Chemical Name:

3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS Number:

955972-16-4

Molecular Formula:

C20H20N2O3

Molecular Weight:

336.3844

MDL Number:

MFCD04639701

IUPAC Name:

3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C20H20N2O3/c1-14(2)13-25-17-10-8-15(9-11-17)19-18(20(23)24)12-22(21-19)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)

InChI Key:

CHTCDJSNOVPGOL-UHFFFAOYSA-N

SMILES:

CC(COc1ccc(cc1)c1nn(cc1C(=O)O)c1ccccc1)C

Complexity:

429

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.391g/mol

Monoisotopic Mass:

336.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4