(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide

C25H29N5O2 — CID 92596157

About (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide

(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide (PubChem CID 92596157) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
• PubChem CID: 92596157
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
• SMILES: Cc1nn(CC(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c(C)c1C
• InChI: InChI=1S/C25H29N5O2/c1-17-18(2)28-30(19(17)3)15-23(31)29-13-10-25(16-29,24(26)32)14-21-6-4-5-7-22(21)20-8-11-27-12-9-20/h4-9,11-12H,10,13-16H2,1-3H3,(H2,26,32)/t25-/m0/s1
• InChIKey: VQLDMXSZSNDQEA-VWLOTQADSA-N
• XLogP: 2.82
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide (CID 92596157) is (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide is Cc1nn(CC(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c(C)c1C.

What is the InChIKey of (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?

The InChIKey is VQLDMXSZSNDQEA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-18(2)28-30(19(17)3)15-23(31)29-13-10-25(16-29,24(26)32)14-21-6-4-5-7-22(21)20-8-11-27-12-9-20/h4-9,11-12H,10,13-16H2,1-3H3,(H2,26,32)/t25-/m0/s1.

What are the key properties of (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide?

(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92596157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).