1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C20H22FN5O3 — CID 110239848

About 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 110239848) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• PubChem CID: 110239848
• Molecular Formula: C20H22FN5O3
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.17
• IUPAC Name: 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
• SMILES: Nc1c(C(=O)C2CCCN2C(=O)CN2CCCC2=O)cnn1-c1ccc(F)cc1
• InChI: InChI=1S/C20H22FN5O3/c21-13-5-7-14(8-6-13)26-20(22)15(11-23-26)19(29)16-3-1-10-25(16)18(28)12-24-9-2-4-17(24)27/h5-8,11,16H,1-4,9-10,12,22H2
• InChIKey: LMZPRHDUZBJDTR-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 101.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 110239848) is 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Nc1c(C(=O)C2CCCN2C(=O)CN2CCCC2=O)cnn1-c1ccc(F)cc1.

What is the InChIKey of 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

The InChIKey is LMZPRHDUZBJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c21-13-5-7-14(8-6-13)26-20(22)15(11-23-26)19(29)16-3-1-10-25(16)18(28)12-24-9-2-4-17(24)27/h5-8,11,16H,1-4,9-10,12,22H2.

What are the key properties of 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?

1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 399.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 110239848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).