Name: Name:1-(3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01C3NR
Rating: 90 (10 reviews)

1-(3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS No.:

926240-78-0

Catalog Number:

AG01C3NR

Molecular Formula:

C13H11FN2O2

Molecular Weight:

246.2370

Catalog Number:

AG01C3NR

Chemical Name:

1-(3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS Number:

926240-78-0

Molecular Formula:

C13H11FN2O2

Molecular Weight:

246.2370

MDL Number:

MFCD09045586

IUPAC Name:

1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H11FN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)

InChI Key:

SKEMDXFVYOXUAB-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)n1nc(c2c1CCC2)C(=O)O

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.241g/mol

Monoisotopic Mass:

246.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5