N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

C22H23F2N3O6 — CID 19277262

About N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277262) has the molecular formula C22H23F2N3O6 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19277262
• Molecular Formula: C22H23F2N3O6
• Molecular Weight: 463.44 g/mol
• Exact Mass: 463.16
• IUPAC Name: N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
• SMILES: CCOc1cc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)ccc1OC(F)F
• InChI: InChI=1S/C22H23F2N3O6/c1-4-31-19-12-14(8-9-16(19)33-22(23)24)25-21(28)15-10-11-27(26-15)13-32-20-17(29-2)6-5-7-18(20)30-3/h5-12,22H,4,13H2,1-3H3,(H,25,28)
• InChIKey: LSTSQWDCGRGQNM-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 93.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.44
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19277262) is N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide is CCOc1cc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)ccc1OC(F)F.

What is the InChIKey of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?

The InChIKey is LSTSQWDCGRGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O6/c1-4-31-19-12-14(8-9-16(19)33-22(23)24)25-21(28)15-10-11-27(26-15)13-32-20-17(29-2)6-5-7-18(20)30-3/h5-12,22H,4,13H2,1-3H3,(H,25,28).

What are the key properties of N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide?

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).