(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone

C107H122F15N19O8 — CID 159591211

About (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone

(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (PubChem CID 159591211) has the molecular formula C107H122F15N19O8 and a molecular weight of 2087.25 g/mol. Its IUPAC name is (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.

Molecular Properties

• Compound Name: (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
• PubChem CID: 159591211
• Molecular Formula: C107H122F15N19O8
• Molecular Weight: 2087.25 g/mol
• Exact Mass: 2085.95
• IUPAC Name: (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.CC(=O)N1CCc2c(c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn2C)C1.CC(=O)N1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCNC2
• InChI: InChI=1S/2C22H25F3N4O2.C22H26F3N3O.C21H23F3N4O2.C20H23F3N4O/c1-14(30)29-12-9-19-17(13-29)20(26-27(19)2)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;1-14(30)29-12-9-17-19(13-29)27(2)26-20(17)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;1-27-19-10-4-2-3-8-17(19)20(26-27)21(29)28-13-11-15(12-14-28)16-7-5-6-9-18(16)22(23,24)25;1-13(29)28-11-16-18(12-28)26(2)25-19(16)20(30)27-9-7-14(8-10-27)15-5-3-4-6-17(15)21(22,23)24;1-26-17-6-9-24-12-15(17)18(25-26)19(28)27-10-7-13(8-11-27)14-4-2-3-5-16(14)20(21,22)23/h2*3-6,15H,7-13H2,1-2H3;5-7,9,15H,2-4,8,10-14H2,1H3;3-6,14H,7-12H2,1-2H3;2-5,13,24H,6-12H2,1H3
• InChIKey: MKGLSFWZJQKYFW-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 263.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.25
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?

The IUPAC name of (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (CID 159591211) is (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.

What is the SMILES notation for (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?

The canonical SMILES for (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is CC(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.CC(=O)N1CCc2c(c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn2C)C1.CC(=O)N1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCNC2.

What is the InChIKey of (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?

The InChIKey is MKGLSFWZJQKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25F3N4O2.C22H26F3N3O.C21H23F3N4O2.C20H23F3N4O/c1-14(30)29-12-9-19-17(13-29)20(26-27(19)2)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;1-14(30)29-12-9-17-19(13-29)27(2)26-20(17)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;1-27-19-10-4-2-3-8-17(19)20(26-27)21(29)28-13-11-15(12-14-28)16-7-5-6-9-18(16)22(23,24)25;1-13(29)28-11-16-18(12-28)26(2)25-19(16)20(30)27-9-7-14(8-10-27)15-5-3-4-6-17(15)21(22,23)24;1-26-17-6-9-24-12-15(17)18(25-26)19(28)27-10-7-13(8-11-27)14-4-2-3-5-16(14)20(21,22)23/h2*3-6,15H,7-13H2,1-2H3;5-7,9,15H,2-4,8,10-14H2,1H3;3-6,14H,7-12H2,1-2H3;2-5,13,24H,6-12H2,1H3.

What are the key properties of (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?

(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone has a molecular weight of 2087.25 g/mol, XLogP of 17.88, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is sourced from PubChem (CID 159591211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).