1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C119H151ClF5N23O11 — CID 161454269

About 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 161454269) has the molecular formula C119H151ClF5N23O11 and a molecular weight of 2210.11 g/mol. Its IUPAC name is 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 161454269
• Molecular Formula: C119H151ClF5N23O11
• Molecular Weight: 2210.11 g/mol
• Exact Mass: 2208.16
• IUPAC Name: 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(C)cc(N5[C@H](C)CC[C@@H]5C)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(F)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC3)CC2)n1
• InChI: InChI=1S/C28H37N5O3.C28H39N5O2.C22H29N5O2.C21H24F2N4O2.C20H22ClF3N4O2/c1-20-4-5-22(26(16-20)33-23-6-7-24(33)19-36-18-23)17-31-12-3-9-28(31)10-14-30(15-11-28)27(35)32-13-8-25(29-32)21(2)34;1-20-15-24(17-25(16-20)33-21(2)5-6-22(33)3)18-30-12-8-28(19-30)9-13-31(14-10-28)27(35)32-11-7-26(29-32)23(4)34;1-17-5-6-19(21(15-17)25-8-3-4-9-25)16-24-11-13-26(14-12-24)22(29)27-10-7-20(23-27)18(2)28;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;1-13(29)18-7-10-28(25-18)19(30)27-8-5-16(6-9-27)26(2)12-14-11-15(21)3-4-17(14)20(22,23)24/h4-5,8,13,16,23-24H,3,6-7,9-12,14-15,17-19H2,1-2H3;7,11,15-17,21-22H,5-6,8-10,12-14,18-19H2,1-4H3;5-7,10,15H,3-4,8-9,11-14,16H2,1-2H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3/t;21-,22+
• InChIKey: WAYDFZBSTGJOCE-CXJIRSKCSA-N
• XLogP: 19.01
• TPSA: 311.15 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.11
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 161454269) is 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(N(C)Cc3cc(Cl)ccc3C(F)(F)F)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3ccc(C)cc3N3C4CCC3COC4)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(C)cc(N5[C@H](C)CC[C@@H]5C)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(F)cc(F)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CCCC3)CC2)n1.

What is the InChIKey of 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is WAYDFZBSTGJOCE-CXJIRSKCSA-N. The full InChI is InChI=1S/C28H37N5O3.C28H39N5O2.C22H29N5O2.C21H24F2N4O2.C20H22ClF3N4O2/c1-20-4-5-22(26(16-20)33-23-6-7-24(33)19-36-18-23)17-31-12-3-9-28(31)10-14-30(15-11-28)27(35)32-13-8-25(29-32)21(2)34;1-20-15-24(17-25(16-20)33-21(2)5-6-22(33)3)18-30-12-8-28(19-30)9-13-31(14-10-28)27(35)32-11-7-26(29-32)23(4)34;1-17-5-6-19(21(15-17)25-8-3-4-9-25)16-24-11-13-26(14-12-24)22(29)27-10-7-20(23-27)18(2)28;1-15(28)19-2-6-27(24-19)20(29)26-8-4-21(5-9-26)3-7-25(14-21)13-16-10-17(22)12-18(23)11-16;1-13(29)18-7-10-28(25-18)19(30)27-8-5-16(6-9-27)26(2)12-14-11-15(21)3-4-17(14)20(22,23)24/h4-5,8,13,16,23-24H,3,6-7,9-12,14-15,17-19H2,1-2H3;7,11,15-17,21-22H,5-6,8-10,12-14,18-19H2,1-4H3;5-7,10,15H,3-4,8-9,11-14,16H2,1-2H3;2,6,10-12H,3-5,7-9,13-14H2,1H3;3-4,7,10-11,16H,5-6,8-9,12H2,1-2H3/t;21-,22+;;;.

What are the key properties of 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?

1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2210.11 g/mol, XLogP of 19.01, 19 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-5-methylphenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 161454269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).