1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide

C24H24ClN5O4 — CID 55954925

About 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55954925) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
• PubChem CID: 55954925
• Molecular Formula: C24H24ClN5O4
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.15
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1N1CC(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1=O
• InChI: InChI=1S/C24H24ClN5O4/c1-34-21-7-6-18(25)12-20(21)30-14-17(11-23(30)32)24(33)26-13-16-4-2-5-19(10-16)28-22(31)15-29-9-3-8-27-29/h2-10,12,17H,11,13-15H2,1H3,(H,26,33)(H,28,31)
• InChIKey: OMFCWAFGYVBOBM-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide (CID 55954925) is 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CC1=O.

What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?

The InChIKey is OMFCWAFGYVBOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c1-34-21-7-6-18(25)12-20(21)30-14-17(11-23(30)32)24(33)26-13-16-4-2-5-19(10-16)28-22(31)15-29-9-3-8-27-29/h2-10,12,17H,11,13-15H2,1H3,(H,26,33)(H,28,31).

What are the key properties of 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide?

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55954925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).