N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide

C21H20F2N6O2 — CID 140663095

About N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide

N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide (PubChem CID 140663095) has the molecular formula C21H20F2N6O2 and a molecular weight of 426.43 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide.

Molecular Properties

• Compound Name: N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide
• PubChem CID: 140663095
• Molecular Formula: C21H20F2N6O2
• Molecular Weight: 426.43 g/mol
• Exact Mass: 426.16
• IUPAC Name: N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide
• SMILES: NC(=O)C(=O)N(c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)C1CC1
• InChI: InChI=1S/C21H20F2N6O2/c22-12-3-6-15(23)14(10-12)16-2-1-8-27(16)18-7-9-28-20(26-18)17(11-25-28)29(13-4-5-13)21(31)19(24)30/h3,6-7,9-11,13,16H,1-2,4-5,8H2,(H2,24,30)
• InChIKey: PHHPDZUSDOTJIO-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 96.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.43
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide?

The IUPAC name of N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide (CID 140663095) is N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide.

What is the SMILES notation for N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide?

The canonical SMILES for N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide is NC(=O)C(=O)N(c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)C1CC1.

What is the InChIKey of N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide?

The InChIKey is PHHPDZUSDOTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O2/c22-12-3-6-15(23)14(10-12)16-2-1-8-27(16)18-7-9-28-20(26-18)17(11-25-28)29(13-4-5-13)21(31)19(24)30/h3,6-7,9-11,13,16H,1-2,4-5,8H2,(H2,24,30).

What are the key properties of N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide?

N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide has a molecular weight of 426.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide is sourced from PubChem (CID 140663095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).