Name: Name:4-(3-benzyl-5-hydroxy-1H-pyrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01B18Y
Rating: 90 (10 reviews)

4-(3-benzyl-5-hydroxy-1H-pyrazol-1-yl)benzoic acid

CAS No.:

1909336-15-7

Catalog Number:

AG01B18Y

Molecular Formula:

C17H14N2O3

Molecular Weight:

294.3047

Catalog Number:

AG01B18Y

Chemical Name:

4-(3-benzyl-5-hydroxy-1H-pyrazol-1-yl)benzoic acid

CAS Number:

1909336-15-7

Molecular Formula:

C17H14N2O3

Molecular Weight:

294.3047

MDL Number:

MFCD28012460

IUPAC Name:

4-(5-benzyl-3-oxo-1H-pyrazol-2-yl)benzoic acid

InChI:

InChI=1S/C17H14N2O3/c20-16-11-14(10-12-4-2-1-3-5-12)18-19(16)15-8-6-13(7-9-15)17(21)22/h1-9,11,18H,10H2,(H,21,22)

InChI Key:

JZVICCLVBRZKKA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)n1nc(cc1O)Cc1ccccc1

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.31g/mol

Monoisotopic Mass:

294.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9