5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H22FN3O2 — CID 119043473

About 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 119043473) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
• PubChem CID: 119043473
• Molecular Formula: C18H22FN3O2
• Molecular Weight: 331.39 g/mol
• Exact Mass: 331.17
• IUPAC Name: 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
• SMILES: CCc1c(C(=O)NC2COc3cccc(F)c32)cnn1CC(C)C
• InChI: InChI=1S/C18H22FN3O2/c1-4-15-12(8-20-22(15)9-11(2)3)18(23)21-14-10-24-16-7-5-6-13(19)17(14)16/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,23)
• InChIKey: GZCDYYKJPYCDCP-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?

The IUPAC name of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 119043473) is 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NC2COc3cccc(F)c32)cnn1CC(C)C.

What is the InChIKey of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?

The InChIKey is GZCDYYKJPYCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-4-15-12(8-20-22(15)9-11(2)3)18(23)21-14-10-24-16-7-5-6-13(19)17(14)16/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,23).

What are the key properties of 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide?

5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119043473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).