N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride

C105H128Cl9N17O17 — CID 160960890

About N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride (PubChem CID 160960890) has the molecular formula C105H128Cl9N17O17 and a molecular weight of 2219.36 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride
• PubChem CID: 160960890
• Molecular Formula: C105H128Cl9N17O17
• Molecular Weight: 2219.36 g/mol
• Exact Mass: 2213.69
• IUPAC Name: N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride
• SMILES: CC(C)[C@H](N)C(=O)N1CCC(NC(=O)c2[nH]ncc2CC(=O)c2c(Cl)cccc2Cl)CC1.CC(COC(=O)n1cc(CC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCNCC2)n1)C(=O)O.CCCCCCCCCCCC(=O)OCn1cc(CC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCCCC2)n1.Cl.O=C1CCc2ccc(OCCCCN3CCC(NC(=O)c4[nH]ncc4CC(=O)c4c(Cl)cccc4Cl)CC3)cc2N1
• InChI: InChI=1S/C31H43Cl2N3O4.C30H33Cl2N5O4.C22H27Cl2N5O3.C22H24Cl2N4O6.ClH/c1-2-3-4-5-6-7-8-9-13-19-28(38)40-22-36-21-23(20-27(37)29-25(32)17-14-18-26(29)33)30(35-36)31(39)34-24-15-11-10-12-16-24;31-23-4-3-5-24(32)28(23)26(38)16-20-18-33-36-29(20)30(40)34-21-10-13-37(14-11-21)12-1-2-15-41-22-8-6-19-7-9-27(39)35-25(19)17-22;1-12(2)19(25)22(32)29-8-6-14(7-9-29)27-21(31)20-13(11-26-28-20)10-17(30)18-15(23)4-3-5-16(18)24;1-12(21(31)32)11-34-22(33)28-10-13(9-17(29)18-15(23)3-2-4-16(18)24)19(27-28)20(30)26-14-5-7-25-8-6-14;/h14,17-18,21,24H,2-13,15-16,19-20,22H2,1H3,(H,34,39);3-6,8,17-18,21H,1-2,7,9-16H2,(H,33,36)(H,34,40)(H,35,39);3-5,11-12,14,19H,6-10,25H2,1-2H3,(H,26,28)(H,27,31);2-4,10,12,14,25H,5-9,11H2,1H3,(H,26,30)(H,31,32);1H/t;;19-;;/m..0../s1
• InChIKey: CUMWDMBIYMSBJA-UGQFJFPUSA-N
• XLogP: 19.25
• TPSA: 467.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 43
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.36
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride?

The IUPAC name of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride (CID 160960890) is N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride.

What is the SMILES notation for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride?

The canonical SMILES for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride is CC(C)[C@H](N)C(=O)N1CCC(NC(=O)c2[nH]ncc2CC(=O)c2c(Cl)cccc2Cl)CC1.CC(COC(=O)n1cc(CC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCNCC2)n1)C(=O)O.CCCCCCCCCCCC(=O)OCn1cc(CC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCCCC2)n1.Cl.O=C1CCc2ccc(OCCCCN3CCC(NC(=O)c4[nH]ncc4CC(=O)c4c(Cl)cccc4Cl)CC3)cc2N1.

What is the InChIKey of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride?

The InChIKey is CUMWDMBIYMSBJA-UGQFJFPUSA-N. The full InChI is InChI=1S/C31H43Cl2N3O4.C30H33Cl2N5O4.C22H27Cl2N5O3.C22H24Cl2N4O6.ClH/c1-2-3-4-5-6-7-8-9-13-19-28(38)40-22-36-21-23(20-27(37)29-25(32)17-14-18-26(29)33)30(35-36)31(39)34-24-15-11-10-12-16-24;31-23-4-3-5-24(32)28(23)26(38)16-20-18-33-36-29(20)30(40)34-21-10-13-37(14-11-21)12-1-2-15-41-22-8-6-19-7-9-27(39)35-25(19)17-22;1-12(2)19(25)22(32)29-8-6-14(7-9-29)27-21(31)20-13(11-26-28-20)10-17(30)18-15(23)4-3-5-16(18)24;1-12(21(31)32)11-34-22(33)28-10-13(9-17(29)18-15(23)3-2-4-16(18)24)19(27-28)20(30)26-14-5-7-25-8-6-14;/h14,17-18,21,24H,2-13,15-16,19-20,22H2,1H3,(H,34,39);3-6,8,17-18,21H,1-2,7,9-16H2,(H,33,36)(H,34,40)(H,35,39);3-5,11-12,14,19H,6-10,25H2,1-2H3,(H,26,28)(H,27,31);2-4,10,12,14,25H,5-9,11H2,1H3,(H,26,30)(H,31,32);1H/t;;19-;;/m..0../s1.

What are the key properties of N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride?

N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride has a molecular weight of 2219.36 g/mol, XLogP of 19.25, 43 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide;[3-(cyclohexylcarbamoyl)-4-[2-(2,6-dichlorophenyl)-2-oxoethyl]pyrazol-1-yl]methyl dodecanoate;4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide;3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3-(piperidin-4-ylcarbamoyl)pyrazole-1-carbonyl]oxy-2-methylpropanoic acid;hydrochloride is sourced from PubChem (CID 160960890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).