[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C80H81F19N12O4 — CID 157326420

About [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 157326420) has the molecular formula C80H81F19N12O4 and a molecular weight of 1635.57 g/mol. Its IUPAC name is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
• PubChem CID: 157326420
• Molecular Formula: C80H81F19N12O4
• Molecular Weight: 1635.57 g/mol
• Exact Mass: 1634.62
• IUPAC Name: [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
• SMILES: Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
• InChI: InChI=1S/C21H23F4N3O.2C20H20F5N3O.C19H18F5N3O/c1-12-10-15(18(16(22)11-12)21(23,24)25)13-6-8-28(9-7-13)20(29)19-14-4-2-3-5-17(14)26-27-19;2*21-14-6-5-12(16(17(14)22)20(23,24)25)11-7-9-28(10-8-11)19(29)18-13-3-1-2-4-15(13)26-27-18;20-13-5-4-11(15(16(13)21)19(22,23)24)10-6-8-27(9-7-10)18(28)17-12-2-1-3-14(12)25-26-17/h10-11,13H,2-9H2,1H3,(H,26,27);2*5-6,11H,1-4,7-10H2,(H,26,27);4-5,10H,1-3,6-9H2,(H,25,26)
• InChIKey: BETVRRBEYHJIPR-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 195.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1635.57
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 157326420) is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

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

The canonical SMILES for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is Cc1cc(F)c(C(F)(F)F)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1.O=C(c1n[nH]c2c1CCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.O=C(c1n[nH]c2c1CCCC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.

What is the InChIKey of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?

The InChIKey is BETVRRBEYHJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N3O.2C20H20F5N3O.C19H18F5N3O/c1-12-10-15(18(16(22)11-12)21(23,24)25)13-6-8-28(9-7-13)20(29)19-14-4-2-3-5-17(14)26-27-19;2*21-14-6-5-12(16(17(14)22)20(23,24)25)11-7-9-28(10-8-11)19(29)18-13-3-1-2-4-15(13)26-27-18;20-13-5-4-11(15(16(13)21)19(22,23)24)10-6-8-27(9-7-10)18(28)17-12-2-1-3-14(12)25-26-17/h10-11,13H,2-9H2,1H3,(H,26,27);2*5-6,11H,1-4,7-10H2,(H,26,27);4-5,10H,1-3,6-9H2,(H,25,26).

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

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 1635.57 g/mol, XLogP of 18.20, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;bis([4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone);[4-[3-fluoro-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 157326420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).