(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

C60H60F6N8O7 — CID 161470480

About (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 161470480) has the molecular formula C60H60F6N8O7 and a molecular weight of 1119.18 g/mol. Its IUPAC name is (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
• PubChem CID: 161470480
• Molecular Formula: C60H60F6N8O7
• Molecular Weight: 1119.18 g/mol
• Exact Mass: 1118.45
• IUPAC Name: (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
• SMILES: CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3O)n2)c1C(F)(F)F.Cc1cc2c(cc1CO)CCN(C)C2.Cc1ccc(OCc2cc3c(cc2C)CN(C)CC3)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
• InChI: InChI=1S/C29H27F3N4O3.C19H16F3N3O3.C12H17NO/c1-17-7-8-25(39-16-21-13-19-9-10-35(3)15-20(19)12-18(21)2)22(11-17)24-5-4-6-26(34-24)36-27(29(30,31)32)23(14-33-36)28(37)38;1-3-28-18(27)13-10-23-25(17(13)19(20,21)22)16-6-4-5-14(24-16)12-9-11(2)7-8-15(12)26;1-9-5-11-7-13(2)4-3-10(11)6-12(9)8-14/h4-8,11-14H,9-10,15-16H2,1-3H3,(H,37,38);4-10,26H,3H2,1-2H3;5-6,14H,3-4,7-8H2,1-2H3
• InChIKey: WCZZGCNOAWKURM-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 181.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.18
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?

The IUPAC name of (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate (CID 161470480) is (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate.

What is the SMILES notation for (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?

The canonical SMILES for (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3O)n2)c1C(F)(F)F.Cc1cc2c(cc1CO)CCN(C)C2.Cc1ccc(OCc2cc3c(cc2C)CN(C)CC3)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1.

What is the InChIKey of (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?

The InChIKey is WCZZGCNOAWKURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3.C19H16F3N3O3.C12H17NO/c1-17-7-8-25(39-16-21-13-19-9-10-35(3)15-20(19)12-18(21)2)22(11-17)24-5-4-6-26(34-24)36-27(29(30,31)32)23(14-33-36)28(37)38;1-3-28-18(27)13-10-23-25(17(13)19(20,21)22)16-6-4-5-14(24-16)12-9-11(2)7-8-15(12)26;1-9-5-11-7-13(2)4-3-10(11)6-12(9)8-14/h4-8,11-14H,9-10,15-16H2,1-3H3,(H,37,38);4-10,26H,3H2,1-2H3;5-6,14H,3-4,7-8H2,1-2H3.

What are the key properties of (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate?

(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 1119.18 g/mol, XLogP of 11.45, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol;1-[6-[2-[(2,7-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;ethyl 1-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 161470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).