1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide

C78H79Cl3F9N13O4 — CID 157285414

IUPAC1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide
SMILESCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)n1.Cc1c(C(=O)N[C@@H](CCCC(=O)N2CCC(C)CC2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCNc2ccccn2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C29H32ClF3N4O2.C28H27ClF3N5O.C21H20ClF3N4O/c1-19-13-15-36(16-14-19)27(38)8-4-7-26(21-5-3-6-22(17-21)29(31,32)33)35-28(39)25-18-34-37(20(25)2)24-11-9-23(30)10-12-24;1-19-24(18-35-37(19)23-13-11-22(29)12-14-23)27(38)36-25(20-7-6-8-21(17-20)28(30,31)32)9-2-4-15-33-26-10-3-5-16-34-26;1-3-5-17(18-6-4-7-19(27-18)21(23,24)25)28-20(30)16-12-26-29(13(16)2)15-10-8-14(22)9-11-15/h3,5-6,9-12,17-19,26H,4,7-8,13-16H2,1-2H3,(H,35,39);3,5-8,10-14,16-18,25H,2,4,9,15H2,1H3,(H,33,34)(H,36,38);4,6-12,17H,3,5H2,1-2H3,(H,28,30)/t26-;25-;17-/m000/s1
InChIKeyBAEGIPSXBFSMDJ-MICQLVIOSA-N
MW1539.92 g/mol
LogP19.27
Rot. Bonds24

About 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide (PubChem CID 157285414) has the molecular formula C78H79Cl3F9N13O4 and a molecular weight of 1539.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide
PubChem CID157285414
Molecular FormulaC78H79Cl3F9N13O4
Molecular Weight1539.92 g/mol
Exact Mass1537.53
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide
SMILESCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)n1.Cc1c(C(=O)N[C@@H](CCCC(=O)N2CCC(C)CC2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCNc2ccccn2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C29H32ClF3N4O2.C28H27ClF3N5O.C21H20ClF3N4O/c1-19-13-15-36(16-14-19)27(38)8-4-7-26(21-5-3-6-22(17-21)29(31,32)33)35-28(39)25-18-34-37(20(25)2)24-11-9-23(30)10-12-24;1-19-24(18-35-37(19)23-13-11-22(29)12-14-23)27(38)36-25(20-7-6-8-21(17-20)28(30,31)32)9-2-4-15-33-26-10-3-5-16-34-26;1-3-5-17(18-6-4-7-19(27-18)21(23,24)25)28-20(30)16-12-26-29(13(16)2)15-10-8-14(22)9-11-15/h3,5-6,9-12,17-19,26H,4,7-8,13-16H2,1-2H3,(H,35,39);3,5-8,10-14,16-18,25H,2,4,9,15H2,1H3,(H,33,34)(H,36,38);4,6-12,17H,3,5H2,1-2H3,(H,28,30)/t26-;25-;17-/m000/s1
InChIKeyBAEGIPSXBFSMDJ-MICQLVIOSA-N
XLogP19.27
TPSA198.88 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.92
LogP ≤ 519.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

(2-Chloro-5-pyrazol-1-ylphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098973
US20230286958, Example 121
CID 168679565
1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide
CID 44479847
1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide
CID 44480096
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 46220549
2-(3-chloropyridin-2-yl)-5-(5-heptafluoropropyltetrazol-2-ylmethyl)-2H-pyrazole-3-carboxylic acid (4-chloro-2-isopropylcarbamoyl-6-methylphenyl)amide
CID 46245192
3-[4-[[5-Chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]cyclohexyl]-6-fluoro-1-[3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 57689924
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047751
N-[4-chloro-2-methyl-6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 58047795
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047857
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-2-yl]methyl]pyrazole-3-carboxamide
CID 58507176
N-[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)triazol-1-yl]methyl]pyrazole-3-carboxamide
CID 58507355

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide (CID 157285414) is 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide is CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)n1.Cc1c(C(=O)N[C@@H](CCCC(=O)N2CCC(C)CC2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCNc2ccccn2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide?
The InChIKey is BAEGIPSXBFSMDJ-MICQLVIOSA-N. The full InChI is InChI=1S/C29H32ClF3N4O2.C28H27ClF3N5O.C21H20ClF3N4O/c1-19-13-15-36(16-14-19)27(38)8-4-7-26(21-5-3-6-22(17-21)29(31,32)33)35-28(39)25-18-34-37(20(25)2)24-11-9-23(30)10-12-24;1-19-24(18-35-37(19)23-13-11-22(29)12-14-23)27(38)36-25(20-7-6-8-21(17-20)28(30,31)32)9-2-4-15-33-26-10-3-5-16-34-26;1-3-5-17(18-6-4-7-19(27-18)21(23,24)25)28-20(30)16-12-26-29(13(16)2)15-10-8-14(22)9-11-15/h3,5-6,9-12,17-19,26H,4,7-8,13-16H2,1-2H3,(H,35,39);3,5-8,10-14,16-18,25H,2,4,9,15H2,1H3,(H,33,34)(H,36,38);4,6-12,17H,3,5H2,1-2H3,(H,28,30)/t26-;25-;17-/m000/s1.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide has a molecular weight of 1539.92 g/mol, XLogP of 19.27, 24 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(4-methylpiperidin-1-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-5-(pyridin-2-ylamino)-1-[3-(trifluoromethyl)phenyl]pentyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).