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

C17H17F4N5O2 — CID 19468090

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

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 19468090) has the molecular formula C17H17F4N5O2 and a molecular weight of 399.35 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
• PubChem CID: 19468090
• Molecular Formula: C17H17F4N5O2
• Molecular Weight: 399.35 g/mol
• Exact Mass: 399.13
• IUPAC Name: 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
• SMILES: CCn1ccc(CNC(=O)c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)n1
• InChI: InChI=1S/C17H17F4N5O2/c1-2-25-6-5-10(23-25)8-22-17(27)14-4-3-11(28-14)9-26-13(16(20)21)7-12(24-26)15(18)19/h3-7,15-16H,2,8-9H2,1H3,(H,22,27)
• InChIKey: LIRZEWGLIOSGFM-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.35
LogP ≤ 5	3.55
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-ethylpyrazol-3-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 19468090) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is CCn1ccc(CNC(=O)c2ccc(Cn3nc(C(F)F)cc3C(F)F)o2)n1.

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

The InChIKey is LIRZEWGLIOSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N5O2/c1-2-25-6-5-10(23-25)8-22-17(27)14-4-3-11(28-14)9-26-13(16(20)21)7-12(24-26)15(18)19/h3-7,15-16H,2,8-9H2,1H3,(H,22,27).

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

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 399.35 g/mol, XLogP of 3.55, 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-ethylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19468090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).