Name: Name:2-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carbonitrile
Brand: Angene
SKU: AG01BHIA
Rating: 90 (10 reviews)

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

CAS No.:

1803598-23-3

Catalog Number:

AG01BHIA

Molecular Formula:

C15H13FN4O

Molecular Weight:

284.2883

Catalog Number:

AG01BHIA

Chemical Name:

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

CAS Number:

1803598-23-3

Molecular Formula:

C15H13FN4O

Molecular Weight:

284.2883

MDL Number:

MFCD28145278

IUPAC Name:

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

InChI:

InChI=1S/C15H13FN4O/c1-19-14(21)6-10(7-17)15(19)11-8-18-20(9-11)13-4-2-12(16)3-5-13/h2-5,8-10,15H,6H2,1H3

InChI Key:

TUJRWYWTHYIVEN-UHFFFAOYSA-N

SMILES:

N#CC1CC(=O)N(C1c1cnn(c1)c1ccc(cc1)F)C

Complexity:

454

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.294g/mol

Monoisotopic Mass:

284.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8