1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide

C77H77Cl3F9N11O4 — CID 158803557

IUPAC1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide
SMILESC=CCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1.Cc1c(C(=O)N[C@@H](CCCCCNCc2ccncc2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCO)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C30H31ClF3N5O.C24H23ClF3N3O.C23H23ClF3N3O2/c1-21-27(20-37-39(21)26-11-9-25(31)10-12-26)29(40)38-28(23-6-5-7-24(18-23)30(32,33)34)8-3-2-4-15-36-19-22-13-16-35-17-14-22;1-3-4-5-9-22(17-7-6-8-18(14-17)24(26,27)28)30-23(32)21-15-29-31(16(21)2)20-12-10-19(25)11-13-20;1-15-20(14-28-30(15)19-10-8-18(24)9-11-19)22(32)29-21(7-2-3-12-31)16-5-4-6-17(13-16)23(25,26)27/h5-7,9-14,16-18,20,28,36H,2-4,8,15,19H2,1H3,(H,38,40);3,6-8,10-15,22H,1,4-5,9H2,2H3,(H,30,32);4-6,8-11,13-14,21,31H,2-3,7,12H2,1H3,(H,29,32)/t28-;22-;21-/m000/s1
InChIKeyITUFLLUDQYYIQF-GLBGKFQLSA-N
MW1497.88 g/mol
LogP19.24
Rot. Bonds28

About 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide (PubChem CID 158803557) has the molecular formula C77H77Cl3F9N11O4 and a molecular weight of 1497.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide
PubChem CID158803557
Molecular FormulaC77H77Cl3F9N11O4
Molecular Weight1497.88 g/mol
Exact Mass1495.51
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide
SMILESC=CCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1.Cc1c(C(=O)N[C@@H](CCCCCNCc2ccncc2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCO)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C30H31ClF3N5O.C24H23ClF3N3O.C23H23ClF3N3O2/c1-21-27(20-37-39(21)26-11-9-25(31)10-12-26)29(40)38-28(23-6-5-7-24(18-23)30(32,33)34)8-3-2-4-15-36-19-22-13-16-35-17-14-22;1-3-4-5-9-22(17-7-6-8-18(14-17)24(26,27)28)30-23(32)21-15-29-31(16(21)2)20-12-10-19(25)11-13-20;1-15-20(14-28-30(15)19-10-8-18(24)9-11-19)22(32)29-21(7-2-3-12-31)16-5-4-6-17(13-16)23(25,26)27/h5-7,9-14,16-18,20,28,36H,2-4,8,15,19H2,1H3,(H,38,40);3,6-8,10-15,22H,1,4-5,9H2,2H3,(H,30,32);4-6,8-11,13-14,21,31H,2-3,7,12H2,1H3,(H,29,32)/t28-;22-;21-/m000/s1
InChIKeyITUFLLUDQYYIQF-GLBGKFQLSA-N
XLogP19.24
TPSA185.91 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.88
LogP ≤ 519.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-5-(methoxymethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]pyrazole-4-carboxamide
CID 58443410
1-(4-chlorophenyl)-5-(hydroxymethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-(methoxymethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]pyrazole-4-carboxamide;dichloromethane;tribromoborane
CID 162163375
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
5-methyl-N-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30768894
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
(2S)-3-methyl-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119360282
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
1-(4-chlorophenyl)-5-methyl-N-[1-[5-(methylaminosulfanyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide
CID 143891024

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide (CID 158803557) is 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide is C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1.Cc1c(C(=O)N[C@@H](CCCCCNCc2ccncc2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.Cc1c(C(=O)N[C@@H](CCCCO)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide?
The InChIKey is ITUFLLUDQYYIQF-GLBGKFQLSA-N. The full InChI is InChI=1S/C30H31ClF3N5O.C24H23ClF3N3O.C23H23ClF3N3O2/c1-21-27(20-37-39(21)26-11-9-25(31)10-12-26)29(40)38-28(23-6-5-7-24(18-23)30(32,33)34)8-3-2-4-15-36-19-22-13-16-35-17-14-22;1-3-4-5-9-22(17-7-6-8-18(14-17)24(26,27)28)30-23(32)21-15-29-31(16(21)2)20-12-10-19(25)11-13-20;1-15-20(14-28-30(15)19-10-8-18(24)9-11-19)22(32)29-21(7-2-3-12-31)16-5-4-6-17(13-16)23(25,26)27/h5-7,9-14,16-18,20,28,36H,2-4,8,15,19H2,1H3,(H,38,40);3,6-8,10-15,22H,1,4-5,9H2,2H3,(H,30,32);4-6,8-11,13-14,21,31H,2-3,7,12H2,1H3,(H,29,32)/t28-;22-;21-/m000/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide has a molecular weight of 1497.88 g/mol, XLogP of 19.24, 28 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-5-hydroxy-1-[3-(trifluoromethyl)phenyl]pentyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-6-(pyridin-4-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]hexyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]hex-5-enyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158803557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).