3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde

C95H123F7N10O19 — CID 158766913

About 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde

3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde (PubChem CID 158766913) has the molecular formula C95H123F7N10O19 and a molecular weight of 1842.07 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde
• PubChem CID: 158766913
• Molecular Formula: C95H123F7N10O19
• Molecular Weight: 1842.07 g/mol
• Exact Mass: 1840.89
• IUPAC Name: 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde
• SMILES: CCOc1cccc(C=O)c1OC(C)F.CCOc1cccc(CN(Cc2ccc(OC)cc2OC)C(=O)c2cc(C(C)(C)C)nn2C)c1OC(F)F.CCOc1cccc(CNC(=O)c2cc(C(C)(C)C)nn2C)c1OC(F)F.CCOc1cccc(CNCc2ccc(OC)cc2OC)c1OC(F)F.COc1ccc(CN)c(OC)c1.Cn1nc(C(C)(C)C)cc1C(=O)O
• InChI: InChI=1S/C28H35F2N3O5.C19H25F2N3O3.C19H23F2NO4.C11H13FO3.C9H14N2O2.C9H13NO2/c1-8-37-22-11-9-10-19(25(22)38-27(29)30)17-33(16-18-12-13-20(35-6)14-23(18)36-7)26(34)21-15-24(28(2,3)4)31-32(21)5;1-6-26-14-9-7-8-12(16(14)27-18(20)21)11-22-17(25)13-10-15(19(2,3)4)23-24(13)5;1-4-25-16-7-5-6-14(18(16)26-19(20)21)12-22-11-13-8-9-15(23-2)10-17(13)24-3;1-3-14-10-6-4-5-9(7-13)11(10)15-8(2)12;1-9(2,3)7-5-6(8(12)13)11(4)10-7;1-11-8-4-3-7(6-10)9(5-8)12-2/h9-15,27H,8,16-17H2,1-7H3;7-10,18H,6,11H2,1-5H3,(H,22,25);5-10,19,22H,4,11-12H2,1-3H3;4-8H,3H2,1-2H3;5H,1-4H3,(H,12,13);3-5H,6,10H2,1-2H3
• InChIKey: IPJKSCSQJSZVBD-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 324.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1842.07
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde?

The IUPAC name of 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde (CID 158766913) is 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde.

What is the SMILES notation for 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde?

The canonical SMILES for 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde is CCOc1cccc(C=O)c1OC(C)F.CCOc1cccc(CN(Cc2ccc(OC)cc2OC)C(=O)c2cc(C(C)(C)C)nn2C)c1OC(F)F.CCOc1cccc(CNC(=O)c2cc(C(C)(C)C)nn2C)c1OC(F)F.CCOc1cccc(CNCc2ccc(OC)cc2OC)c1OC(F)F.COc1ccc(CN)c(OC)c1.Cn1nc(C(C)(C)C)cc1C(=O)O.

What is the InChIKey of 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde?

The InChIKey is IPJKSCSQJSZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N3O5.C19H25F2N3O3.C19H23F2NO4.C11H13FO3.C9H14N2O2.C9H13NO2/c1-8-37-22-11-9-10-19(25(22)38-27(29)30)17-33(16-18-12-13-20(35-6)14-23(18)36-7)26(34)21-15-24(28(2,3)4)31-32(21)5;1-6-26-14-9-7-8-12(16(14)27-18(20)21)11-22-17(25)13-10-15(19(2,3)4)23-24(13)5;1-4-25-16-7-5-6-14(18(16)26-19(20)21)12-22-11-13-8-9-15(23-2)10-17(13)24-3;1-3-14-10-6-4-5-9(7-13)11(10)15-8(2)12;1-9(2,3)7-5-6(8(12)13)11(4)10-7;1-11-8-4-3-7(6-10)9(5-8)12-2/h9-15,27H,8,16-17H2,1-7H3;7-10,18H,6,11H2,1-5H3,(H,22,25);5-10,19,22H,4,11-12H2,1-3H3;4-8H,3H2,1-2H3;5H,1-4H3,(H,12,13);3-5H,6,10H2,1-2H3.

What are the key properties of 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde?

3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde has a molecular weight of 1842.07 g/mol, XLogP of 18.39, 37 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-tert-butyl-1-methylpyrazole-5-carboxylic acid;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine;3-ethoxy-2-(1-fluoroethoxy)benzaldehyde is sourced from PubChem (CID 158766913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).