N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C116H114F16N12O11 — CID 167707132

About N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167707132) has the molecular formula C116H114F16N12O11 and a molecular weight of 2156.23 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• PubChem CID: 167707132
• Molecular Formula: C116H114F16N12O11
• Molecular Weight: 2156.23 g/mol
• Exact Mass: 2154.85
• IUPAC Name: N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• SMILES: Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccnn1C.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1.Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@@H]1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1
• InChI: InChI=1S/2C24H23F3N2O2.C23H24F3N3O3.C23H23F3N2O.C22H21F4N3O3/c2*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-16-5-3-4-6-17(16)13-29(22(31)21-11-12-27-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-18-5-2-3-7-20(18)17-28(16-19-6-4-12-27-15-19)13-14-29-22-10-8-21(9-11-22)23(24,25)26;1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h2*1-11,13,21,23,30H,12,14-16H2;3-12,19,30H,13-15H2,1-2H3;2-12,15H,13-14,16-17H2,1H3;2-11,17,30H,12-14H2,1H3/t2*21?,23-;;;/m10.../s1
• InChIKey: ZGLVEOGLLRDTCP-KTPKQCDESA-N
• XLogP: 22.26
• TPSA: 251.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.23
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167707132) is N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccnn1C.Cc1ccccc1CN(CCOc1ccc(C(F)(F)F)cc1)Cc1cccnc1.Cn1nccc1C(=O)N(Cc1ccccc1F)CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@@H]1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The InChIKey is ZGLVEOGLLRDTCP-KTPKQCDESA-N. The full InChI is InChI=1S/2C24H23F3N2O2.C23H24F3N3O3.C23H23F3N2O.C22H21F4N3O3/c2*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-16-5-3-4-6-17(16)13-29(22(31)21-11-12-27-28(21)2)14-19(30)15-32-20-9-7-18(8-10-20)23(24,25)26;1-18-5-2-3-7-20(18)17-28(16-19-6-4-12-27-15-19)13-14-29-22-10-8-21(9-11-22)23(24,25)26;1-28-20(10-11-27-28)21(31)29(12-15-4-2-3-5-19(15)23)13-17(30)14-32-18-8-6-16(7-9-18)22(24,25)26/h2*1-11,13,21,23,30H,12,14-16H2;3-12,19,30H,13-15H2,1-2H3;2-12,15H,13-14,16-17H2,1H3;2-11,17,30H,12-14H2,1H3/t2*21?,23-;;;/m10.../s1.

What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2156.23 g/mol, XLogP of 22.26, 36 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide;N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine;1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(3R)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).