5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

C18H19F4N5O2 — CID 19468136

About 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 19468136) has the molecular formula C18H19F4N5O2 and a molecular weight of 413.38 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
• PubChem CID: 19468136
• Molecular Formula: C18H19F4N5O2
• Molecular Weight: 413.38 g/mol
• Exact Mass: 413.15
• IUPAC Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
• SMILES: CCn1nccc1C(C)NC(=O)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
• InChI: InChI=1S/C18H19F4N5O2/c1-3-26-13(6-7-23-26)10(2)24-18(28)15-5-4-11(29-15)9-27-14(17(21)22)8-12(25-27)16(19)20/h4-8,10,16-17H,3,9H2,1-2H3,(H,24,28)
• InChIKey: RZMSSCDIINRBAY-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.38
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (CID 19468136) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is CCn1nccc1C(C)NC(=O)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.

What is the InChIKey of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

The InChIKey is RZMSSCDIINRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5O2/c1-3-26-13(6-7-23-26)10(2)24-18(28)15-5-4-11(29-15)9-27-14(17(21)22)8-12(25-27)16(19)20/h4-8,10,16-17H,3,9H2,1-2H3,(H,24,28).

What are the key properties of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 413.38 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19468136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).