(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

C81H90F12N12O5 — CID 159265850

About (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)

(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (PubChem CID 159265850) has the molecular formula C81H90F12N12O5 and a molecular weight of 1539.67 g/mol. Its IUPAC name is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

Molecular Properties

• Compound Name: (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• PubChem CID: 159265850
• Molecular Formula: C81H90F12N12O5
• Molecular Weight: 1539.67 g/mol
• Exact Mass: 1538.70
• IUPAC Name: (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)
• SMILES: Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C21H24F3N3O.C20H22F3N3O2.2C20H22F3N3O/c1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;2*21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18/h2,4,6,8,14H,3,5,7,9-13H2,1H3;2-5,13H,6-12H2,1H3;2*1,3,5,7,13H,2,4,6,8-12H2,(H,24,25)
• InChIKey: KXBYCGNKLGQFID-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 183.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.67
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) (CID 159265850) is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone).

What is the SMILES notation for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The canonical SMILES for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

The InChIKey is KXBYCGNKLGQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O.C20H22F3N3O2.2C20H22F3N3O/c1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;2*21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18/h2,4,6,8,14H,3,5,7,9-13H2,1H3;2-5,13H,6-12H2,1H3;2*1,3,5,7,13H,2,4,6,8-12H2,(H,24,25).

What are the key properties of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone)?

(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) has a molecular weight of 1539.67 g/mol, XLogP of 16.52, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone) is sourced from PubChem (CID 159265850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).