3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine

C91H108F8N10O19 — CID 158219506

About 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine

3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine (PubChem CID 158219506) has the molecular formula C91H108F8N10O19 and a molecular weight of 1797.90 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine
• PubChem CID: 158219506
• Molecular Formula: C91H108F8N10O19
• Molecular Weight: 1797.90 g/mol
• Exact Mass: 1796.77
• IUPAC Name: 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine
• SMILES: CCOc1cccc(C=O)c1OC(F)F.CCOc1cccc(CN(Cc2ccc(OC)cc2OC)C(=O)c2cc(C3CC3)nn2C)c1OC(F)F.CCOc1cccc(CNC(=O)c2cc(C3CC3)nn2C)c1OC(F)F.CCOc1cccc(CNCc2ccc(OC)cc2OC)c1OC(F)F.COc1ccc(CN)c(OC)c1.Cn1nc(C2CC2)cc1C(=O)O
• InChI: InChI=1S/C27H31F2N3O5.C19H23F2NO4.C18H21F2N3O3.C10H10F2O3.C9H13NO2.C8H10N2O2/c1-5-36-23-8-6-7-19(25(23)37-27(28)29)16-32(15-18-11-12-20(34-3)13-24(18)35-4)26(33)22-14-21(17-9-10-17)30-31(22)2;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;1-3-25-15-6-4-5-12(16(15)26-18(19)20)10-21-17(24)14-9-13(11-7-8-11)22-23(14)2;1-2-14-8-5-3-4-7(6-13)9(8)15-10(11)12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-10-7(8(11)12)4-6(9-10)5-2-3-5/h6-8,11-14,17,27H,5,9-10,15-16H2,1-4H3;5-10,19,22H,4,11-12H2,1-3H3;4-6,9,11,18H,3,7-8,10H2,1-2H3,(H,21,24);3-6,10H,2H2,1H3;3-5H,6,10H2,1-2H3;4-5H,2-3H2,1H3,(H,11,12)
• InChIKey: GDBMKEUSPYPZLQ-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 324.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 40
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.90
LogP ≤ 5	17.04
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-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine?

The IUPAC name of 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine (CID 158219506) is 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine.

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

The canonical SMILES for 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine is CCOc1cccc(C=O)c1OC(F)F.CCOc1cccc(CN(Cc2ccc(OC)cc2OC)C(=O)c2cc(C3CC3)nn2C)c1OC(F)F.CCOc1cccc(CNC(=O)c2cc(C3CC3)nn2C)c1OC(F)F.CCOc1cccc(CNCc2ccc(OC)cc2OC)c1OC(F)F.COc1ccc(CN)c(OC)c1.Cn1nc(C2CC2)cc1C(=O)O.

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

The InChIKey is GDBMKEUSPYPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O5.C19H23F2NO4.C18H21F2N3O3.C10H10F2O3.C9H13NO2.C8H10N2O2/c1-5-36-23-8-6-7-19(25(23)37-27(28)29)16-32(15-18-11-12-20(34-3)13-24(18)35-4)26(33)22-14-21(17-9-10-17)30-31(22)2;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;1-3-25-15-6-4-5-12(16(15)26-18(19)20)10-21-17(24)14-9-13(11-7-8-11)22-23(14)2;1-2-14-8-5-3-4-7(6-13)9(8)15-10(11)12;1-11-8-4-3-7(6-10)9(5-8)12-2;1-10-7(8(11)12)4-6(9-10)5-2-3-5/h6-8,11-14,17,27H,5,9-10,15-16H2,1-4H3;5-10,19,22H,4,11-12H2,1-3H3;4-6,9,11,18H,3,7-8,10H2,1-2H3,(H,21,24);3-6,10H,2H2,1H3;3-5H,6,10H2,1-2H3;4-5H,2-3H2,1H3,(H,11,12).

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

3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine has a molecular weight of 1797.90 g/mol, XLogP of 17.04, 40 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;2-(difluoromethoxy)-3-ethoxybenzaldehyde;1-[2-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine;(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 158219506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).