N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C26H24ClN5O3 — CID 59463179

About N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463179) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 59463179
• Molecular Formula: C26H24ClN5O3
• Molecular Weight: 489.96 g/mol
• Exact Mass: 489.16
• IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• SMILES: O=C1CC(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)CN1Cc1ccccc1Cl
• InChI: InChI=1S/C26H24ClN5O3/c27-21-9-3-1-6-18(21)15-31-16-19(12-25(31)34)29-26(35)32-23(20-8-2-4-10-24(20)33)13-22(30-32)17-7-5-11-28-14-17/h1-11,14,19,23,33H,12-13,15-16H2,(H,29,35)
• InChIKey: ZAVBXIIHXIOOAF-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 98.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.96
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463179) is N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C1CC(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)CN1Cc1ccccc1Cl.

What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is ZAVBXIIHXIOOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c27-21-9-3-1-6-18(21)15-31-16-19(12-25(31)34)29-26(35)32-23(20-8-2-4-10-24(20)33)13-22(30-32)17-7-5-11-28-14-17/h1-11,14,19,23,33H,12-13,15-16H2,(H,29,35).

What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 489.96 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).