2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide

C19H24N4O2 — CID 131961725

About 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide

2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 131961725) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 131961725
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide
• SMILES: Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(CC(N)=O)C3)c2)n1
• InChI: InChI=1S/C19H24N4O2/c1-13-8-14(2)23(21-13)12-15-4-3-5-17(9-15)19(25)22-7-6-16(11-22)10-18(20)24/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,20,24)
• InChIKey: CCWUPAAVYSPROT-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 81.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide?

The IUPAC name of 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide (CID 131961725) is 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide is Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(CC(N)=O)C3)c2)n1.

What is the InChIKey of 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide?

The InChIKey is CCWUPAAVYSPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-8-14(2)23(21-13)12-15-4-3-5-17(9-15)19(25)22-7-6-16(11-22)10-18(20)24/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H2,20,24).

What are the key properties of 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide?

2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 131961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).