(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

C17H17N5O3 — CID 121019667

About (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 121019667) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 121019667
• Molecular Formula: C17H17N5O3
• Molecular Weight: 339.36 g/mol
• Exact Mass: 339.13
• IUPAC Name: (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cc(C2CC2)[nH]n1)N1CCC(c2noc(-c3ccco3)n2)C1
• InChI: InChI=1S/C17H17N5O3/c23-17(13-8-12(19-20-13)10-3-4-10)22-6-5-11(9-22)15-18-16(25-21-15)14-2-1-7-24-14/h1-2,7-8,10-11H,3-6,9H2,(H,19,20)
• InChIKey: GPCWHQYQIGITQD-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 101.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.36
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone (CID 121019667) is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCC(c2noc(-c3ccco3)n2)C1.

What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

The InChIKey is GPCWHQYQIGITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-17(13-8-12(19-20-13)10-3-4-10)22-6-5-11(9-22)15-18-16(25-21-15)14-2-1-7-24-14/h1-2,7-8,10-11H,3-6,9H2,(H,19,20).

What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone?

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121019667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).