Name: Name:2-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01BHI9
Rating: 90 (10 reviews)

2-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

1803605-63-1

Catalog Number:

AG01BHI9

Molecular Formula:

C15H14FN3O3

Molecular Weight:

303.2884

Catalog Number:

AG01BHI9

Chemical Name:

2-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

1803605-63-1

Molecular Formula:

C15H14FN3O3

Molecular Weight:

303.2884

MDL Number:

MFCD28145277

IUPAC Name:

2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C15H14FN3O3/c1-18-13(20)6-12(15(21)22)14(18)9-7-17-19(8-9)11-4-2-10(16)3-5-11/h2-5,7-8,12,14H,6H2,1H3,(H,21,22)

InChI Key:

GEZFVZUKDUGFQS-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(=O)N(C1c1cnn(c1)c1ccc(cc1)F)C

Complexity:

453

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

303.293g/mol

Monoisotopic Mass:

303.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6