[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C20H21N5O — CID 71924723

About [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 71924723) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 71924723
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1CCCC1c1ccc[nH]1
• InChI: InChI=1S/C20H21N5O/c26-20(25-12-2-4-17(25)16-3-1-11-21-16)15-9-7-14(8-10-15)19-22-18(23-24-19)13-5-6-13/h1,3,7-11,13,17,21H,2,4-6,12H2,(H,22,23,24)
• InChIKey: OWBFUDKYWJUUSG-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 71924723) is [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1CCCC1c1ccc[nH]1.

What is the InChIKey of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is OWBFUDKYWJUUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(25-12-2-4-17(25)16-3-1-11-21-16)15-9-7-14(8-10-15)19-22-18(23-24-19)13-5-6-13/h1,3,7-11,13,17,21H,2,4-6,12H2,(H,22,23,24).

What are the key properties of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?

[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71924723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).