lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide

C71H78F18LiN9O14 — CID 159897909

About lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide

lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide (PubChem CID 159897909) has the molecular formula C71H78F18LiN9O14 and a molecular weight of 1630.36 g/mol. Its IUPAC name is lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide
• PubChem CID: 159897909
• Molecular Formula: C71H78F18LiN9O14
• Molecular Weight: 1630.36 g/mol
• Exact Mass: 1629.55
• IUPAC Name: lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide
• SMILES: CCOC(=O)C(F)(F)F.CCOC(=O)CCN.CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(F)(F)F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc2c(c1C(F)(F)F)CCC2.O=C1CCCC1.O=C1CCCC1C(=O)C(F)(F)F.[Li+].[OH-]
• InChI: InChI=1S/C30H24F6N4O2.C11H13F3N2O2.C9H9F3N2O2.C7H7F3O2.C5H11NO2.C5H8O.C4H5F3O2.Li.H2O/c31-19-10-16(11-20(32)14-19)9-18(12-21(41)15-40-28(30(34,35)36)23-3-1-5-26(23)39-40)27-22(4-2-8-38-27)17-6-7-25(33)24(13-17)29(37)42;1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16;10-9(11,12)8-5-2-1-3-6(5)13-14(8)4-7(15)16;8-7(9,10)6(12)4-2-1-3-5(4)11;1-2-8-5(7)3-4-6;6-5-3-1-2-4-5;1-2-9-3(8)4(5,6)7;;/h2,4,6-8,10-11,13-14,18H,1,3,5,9,12,15H2,(H2,37,42);2-6H2,1H3;1-4H2,(H,15,16);4H,1-3H2;2-4,6H2,1H3;1-4H2;2H2,1H3;;1H2/q;;;;;;;+1;/p-1/t18-;;;;;;;;/m1......../s1
• InChIKey: NVOTXGXCQUYAAM-BTJIKBFDSA-M
• XLogP: 9.84
• TPSA: 349.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1630.36
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The IUPAC name of lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide (CID 159897909) is lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide.

What is the SMILES notation for lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The canonical SMILES for lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide is CCOC(=O)C(F)(F)F.CCOC(=O)CCN.CCOC(=O)Cn1nc2c(c1C(F)(F)F)CCC2.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(F)(F)F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc2c(c1C(F)(F)F)CCC2.O=C1CCCC1.O=C1CCCC1C(=O)C(F)(F)F.[Li+].[OH-].

What is the InChIKey of lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

The InChIKey is NVOTXGXCQUYAAM-BTJIKBFDSA-M. The full InChI is InChI=1S/C30H24F6N4O2.C11H13F3N2O2.C9H9F3N2O2.C7H7F3O2.C5H11NO2.C5H8O.C4H5F3O2.Li.H2O/c31-19-10-16(11-20(32)14-19)9-18(12-21(41)15-40-28(30(34,35)36)23-3-1-5-26(23)39-40)27-22(4-2-8-38-27)17-6-7-25(33)24(13-17)29(37)42;1-2-18-9(17)6-16-10(11(12,13)14)7-4-3-5-8(7)15-16;10-9(11,12)8-5-2-1-3-6(5)13-14(8)4-7(15)16;8-7(9,10)6(12)4-2-1-3-5(4)11;1-2-8-5(7)3-4-6;6-5-3-1-2-4-5;1-2-9-3(8)4(5,6)7;;/h2,4,6-8,10-11,13-14,18H,1,3,5,9,12,15H2,(H2,37,42);2-6H2,1H3;1-4H2,(H,15,16);4H,1-3H2;2-4,6H2,1H3;1-4H2;2H2,1H3;;1H2/q;;;;;;;+1;/p-1/t18-;;;;;;;;/m1......../s1.

What are the key properties of lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide?

lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide has a molecular weight of 1630.36 g/mol, XLogP of 9.84, 19 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;cyclopentanone;5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-aminopropanoate;ethyl 2,2,2-trifluoroacetate;ethyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetate;2-(2,2,2-trifluoroacetyl)cyclopentan-1-one;2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetic acid;hydroxide is sourced from PubChem (CID 159897909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).