N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide

C32H25F4N3O6 — CID 21294706

About N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide

N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 21294706) has the molecular formula C32H25F4N3O6 and a molecular weight of 623.56 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 21294706
• Molecular Formula: C32H25F4N3O6
• Molecular Weight: 623.56 g/mol
• Exact Mass: 623.17
• IUPAC Name: N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccc(OC(F)F)cc2)cc1)N1CC(c2ccc3c(c2)OCCO3)C(c2ccc(OC(F)F)cc2)=N1
• InChI: InChI=1S/C32H25F4N3O6/c33-30(34)44-24-6-1-19(2-7-24)29-26(20-3-14-27-28(17-20)42-16-15-41-27)18-39(38-29)32(40)37-21-4-8-22(9-5-21)43-23-10-12-25(13-11-23)45-31(35)36/h1-14,17,26,30-31H,15-16,18H2,(H,37,40)
• InChIKey: NWZHOASJZWFOBZ-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 90.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.56
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide (CID 21294706) is N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(Oc2ccc(OC(F)F)cc2)cc1)N1CC(c2ccc3c(c2)OCCO3)C(c2ccc(OC(F)F)cc2)=N1.

What is the InChIKey of N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is NWZHOASJZWFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F4N3O6/c33-30(34)44-24-6-1-19(2-7-24)29-26(20-3-14-27-28(17-20)42-16-15-41-27)18-39(38-29)32(40)37-21-4-8-22(9-5-21)43-23-10-12-25(13-11-23)45-31(35)36/h1-14,17,26,30-31H,15-16,18H2,(H,37,40).

What are the key properties of N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide?

N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 623.56 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(difluoromethoxy)phenoxy]phenyl]-5-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 21294706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).