4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C72H82F3N15O9 — CID 164993055

About 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164993055) has the molecular formula C72H82F3N15O9 and a molecular weight of 1358.54 g/mol. Its IUPAC name is 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
• PubChem CID: 164993055
• Molecular Formula: C72H82F3N15O9
• Molecular Weight: 1358.54 g/mol
• Exact Mass: 1357.64
• IUPAC Name: 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
• SMILES: CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1-n1nc(C(C)C(F)(F)F)c(N)c1C(N)=O.CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1-n1nc2c(c1C(N)=O)NCCC2.COc1ccccc1C(=O)NCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)cc1
• InChI: InChI=1S/C25H28F3N5O3.C25H29N5O3.C22H25N5O3/c1-5-36-19-11-16(12-31-24(35)17-10-13(2)6-7-14(17)3)8-9-18(19)33-22(23(30)34)20(29)21(32-33)15(4)25(26,27)28;1-4-33-21-13-17(14-28-25(32)18-12-15(2)7-8-16(18)3)9-10-20(21)30-23(24(26)31)22-19(29-30)6-5-11-27-22;1-13(2)19-18(23)20(21(24)28)27(26-19)15-10-8-14(9-11-15)12-25-22(29)16-6-4-5-7-17(16)30-3/h6-11,15H,5,12,29H2,1-4H3,(H2,30,34)(H,31,35);7-10,12-13,27H,4-6,11,14H2,1-3H3,(H2,26,31)(H,28,32);4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29)
• InChIKey: HDICROOHOHLQPM-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 361.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1358.54
LogP ≤ 5	10.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The IUPAC name of 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164993055) is 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The canonical SMILES for 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1-n1nc(C(C)C(F)(F)F)c(N)c1C(N)=O.CCOc1cc(CNC(=O)c2cc(C)ccc2C)ccc1-n1nc2c(c1C(N)=O)NCCC2.COc1ccccc1C(=O)NCc1ccc(-n2nc(C(C)C)c(N)c2C(N)=O)cc1.

What is the InChIKey of 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

The InChIKey is HDICROOHOHLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3.C25H29N5O3.C22H25N5O3/c1-5-36-19-11-16(12-31-24(35)17-10-13(2)6-7-14(17)3)8-9-18(19)33-22(23(30)34)20(29)21(32-33)15(4)25(26,27)28;1-4-33-21-13-17(14-28-25(32)18-12-15(2)7-8-16(18)3)9-10-20(21)30-23(24(26)31)22-19(29-30)6-5-11-27-22;1-13(2)19-18(23)20(21(24)28)27(26-19)15-10-8-14(9-11-15)12-25-22(29)16-6-4-5-7-17(16)30-3/h6-11,15H,5,12,29H2,1-4H3,(H2,30,34)(H,31,35);7-10,12-13,27H,4-6,11,14H2,1-3H3,(H2,26,31)(H,28,32);4-11,13H,12,23H2,1-3H3,(H2,24,28)(H,25,29).

What are the key properties of 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?

4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 1358.54 g/mol, XLogP of 10.05, 22 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-2-ethoxyphenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164993055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).