(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C26H30N4O2 — CID 26002894

About (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 26002894) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
• PubChem CID: 26002894
• Molecular Formula: C26H30N4O2
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.24
• IUPAC Name: (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
• SMILES: Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1
• InChI: InChI=1S/C26H30N4O2/c1-18-24(20(3)30(28-18)16-21-10-6-4-7-11-21)15-27-26(32)23-14-25(31)29(17-23)19(2)22-12-8-5-9-13-22/h4-13,19,23H,14-17H2,1-3H3,(H,27,32)/t19-,23-/m1/s1
• InChIKey: YMSYZINMNPTWTR-AUSIDOKSSA-N
• XLogP: 3.77
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 26002894) is (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1.

What is the InChIKey of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

The InChIKey is YMSYZINMNPTWTR-AUSIDOKSSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-24(20(3)30(28-18)16-21-10-6-4-7-11-21)15-27-26(32)23-14-25(31)29(17-23)19(2)22-12-8-5-9-13-22/h4-13,19,23H,14-17H2,1-3H3,(H,27,32)/t19-,23-/m1/s1.

What are the key properties of (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?

(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 26002894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).