4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

C20H23F2N5O3 — CID 19340365

About 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide

4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19340365) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• PubChem CID: 19340365
• Molecular Formula: C20H23F2N5O3
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.18
• IUPAC Name: 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
• SMILES: CCOc1cc(C(=O)Nc2cnn(Cc3cnn(CC)c3C)c2)ccc1OC(F)F
• InChI: InChI=1S/C20H23F2N5O3/c1-4-27-13(3)15(9-24-27)11-26-12-16(10-23-26)25-19(28)14-6-7-17(30-20(21)22)18(8-14)29-5-2/h6-10,12,20H,4-5,11H2,1-3H3,(H,25,28)
• InChIKey: XEISJJGKDRRNBU-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide (CID 19340365) is 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide.

What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is CCOc1cc(C(=O)Nc2cnn(Cc3cnn(CC)c3C)c2)ccc1OC(F)F.

What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

The InChIKey is XEISJJGKDRRNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-4-27-13(3)15(9-24-27)11-26-12-16(10-23-26)25-19(28)14-6-7-17(30-20(21)22)18(8-14)29-5-2/h6-10,12,20H,4-5,11H2,1-3H3,(H,25,28).

What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide?

4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)-3-ethoxy-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).