N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C24H22ClN5O2 — CID 91955545

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955545) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 91955545
• Molecular Formula: C24H22ClN5O2
• Molecular Weight: 447.93 g/mol
• Exact Mass: 447.15
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C24H22ClN5O2/c25-18-7-5-16(6-8-18)14-29-12-11-22(28-29)27-24(32)21-9-10-23(31)30(21)15-17-13-26-20-4-2-1-3-19(17)20/h1-8,11-13,21,26H,9-10,14-15H2,(H,27,28,32)
• InChIKey: RCBWUVTYELYAHF-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.93
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 91955545) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?

The InChIKey is RCBWUVTYELYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-18-7-5-16(6-8-18)14-29-12-11-22(28-29)27-24(32)21-9-10-23(31)30(21)15-17-13-26-20-4-2-1-3-19(17)20/h1-8,11-13,21,26H,9-10,14-15H2,(H,27,28,32).

What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).