[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

C23H26N4O — CID 166618279

About [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 166618279) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 166618279
• Molecular Formula: C23H26N4O
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.21
• IUPAC Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Cc4ccccn4)C3)c2)n1
• InChI: InChI=1S/C23H26N4O/c1-17-12-18(2)27(25-17)16-19-6-5-7-21(13-19)23(28)26-11-9-20(15-26)14-22-8-3-4-10-24-22/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3
• InChIKey: RMVYDWFKILXVCA-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 166618279) is [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Cc4ccccn4)C3)c2)n1.

What is the InChIKey of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?

The InChIKey is RMVYDWFKILXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-12-18(2)27(25-17)16-19-6-5-7-21(13-19)23(28)26-11-9-20(15-26)14-22-8-3-4-10-24-22/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3.

What are the key properties of [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166618279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).