3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile

C123H91Cl8F7N30O3 — CID 160632250

IUPAC3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESCOc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc(N(C)C)c1C.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc1F.Cc1c(F)c(F)c2c(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)c[nH]c2c1F.Cc1ccc(-c2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)o2)cc1.Cn1nc(C(F)(F)F)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)c1Cl.N#Cc1c(/N=C/c2nc(-c3ccccc3)[nH]c2Cl)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H17ClN4O.C22H22ClN5O.C21H14Cl2N6.C21H13ClF3N5.C19H14ClFN4O.C17H11Cl2F3N6/c1-15-5-7-17(8-6-15)22-10-9-19(29-22)14-26-23-20(13-25)21(27-28-23)12-16-3-2-4-18(24)11-16;1-14-20(28(2)3)10-16(11-21(14)29-4)13-25-22-18(12-24)19(26-27-22)9-15-6-5-7-17(23)8-15;22-15-8-4-5-13(9-15)10-17-16(11-24)21(29-28-17)25-12-18-19(23)27-20(26-18)14-6-2-1-3-7-14;1-10-17(23)19(25)16-12(8-27-20(16)18(10)24)9-28-21-14(7-26)15(29-30-21)6-11-3-2-4-13(22)5-11;1-26-18-6-5-13(8-16(18)21)11-23-19-15(10-22)17(24-25-19)9-12-3-2-4-14(20)7-12;1-28-15(19)12(14(27-28)17(20,21)22)8-24-16-11(7-23)13(25-26-16)6-9-3-2-4-10(18)5-9/h2-11,14H,12H2,1H3,(H,27,28);5-8,10-11,13H,9H2,1-4H3,(H,26,27);1-9,12H,10H2,(H,26,27)(H,28,29);2-5,8-9,27H,6H2,1H3,(H,29,30);2-8,11H,9H2,1H3,(H,24,25);2-5,8H,6H2,1H3,(H,25,26)/b26-14+;25-13+;25-12+;28-9+;23-11+;24-8+
InChIKeyRIBINZKDPZDRNX-UFBZKAGOSA-N
MW2453.90 g/mol
LogP30.41
Rot. Bonds29

About 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile

3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile (PubChem CID 160632250) has the molecular formula C123H91Cl8F7N30O3 and a molecular weight of 2453.90 g/mol. Its IUPAC name is 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile
PubChem CID160632250
Molecular FormulaC123H91Cl8F7N30O3
Molecular Weight2453.90 g/mol
Exact Mass2448.53
IUPAC Name3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESCOc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc(N(C)C)c1C.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc1F.Cc1c(F)c(F)c2c(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)c[nH]c2c1F.Cc1ccc(-c2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)o2)cc1.Cn1nc(C(F)(F)F)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)c1Cl.N#Cc1c(/N=C/c2nc(-c3ccccc3)[nH]c2Cl)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H17ClN4O.C22H22ClN5O.C21H14Cl2N6.C21H13ClF3N5.C19H14ClFN4O.C17H11Cl2F3N6/c1-15-5-7-17(8-6-15)22-10-9-19(29-22)14-26-23-20(13-25)21(27-28-23)12-16-3-2-4-18(24)11-16;1-14-20(28(2)3)10-16(11-21(14)29-4)13-25-22-18(12-24)19(26-27-22)9-15-6-5-7-17(23)8-15;22-15-8-4-5-13(9-15)10-17-16(11-24)21(29-28-17)25-12-18-19(23)27-20(26-18)14-6-2-1-3-7-14;1-10-17(23)19(25)16-12(8-27-20(16)18(10)24)9-28-21-14(7-26)15(29-30-21)6-11-3-2-4-13(22)5-11;1-26-18-6-5-13(8-16(18)21)11-23-19-15(10-22)17(24-25-19)9-12-3-2-4-14(20)7-12;1-28-15(19)12(14(27-28)17(20,21)22)8-24-16-11(7-23)13(25-26-16)6-9-3-2-4-10(18)5-9/h2-11,14H,12H2,1H3,(H,27,28);5-8,10-11,13H,9H2,1-4H3,(H,26,27);1-9,12H,10H2,(H,26,27)(H,28,29);2-5,8-9,27H,6H2,1H3,(H,29,30);2-8,11H,9H2,1H3,(H,24,25);2-5,8H,6H2,1H3,(H,25,26)/b26-14+;25-13+;25-12+;28-9+;23-11+;24-8+
InChIKeyRIBINZKDPZDRNX-UFBZKAGOSA-N
XLogP30.41
TPSA486.11 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002453.90
LogP ≤ 530.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile with MolForge

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Related Compounds

3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[[5-chloro-1-methyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,6,7-trifluoro-5-methyl-3H-benzimidazol-1-ium-1-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157515684
3-[[4-(benzimidazol-1-yl)phenyl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157788535
3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 160565758
3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-(1-methylpiperidin-4-yl)phenyl]methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylamino]-1H-pyrazole-4-carbonitrile
CID 161911691
3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile
CID 159546785

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile (CID 160632250) is 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile is COc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc(N(C)C)c1C.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)cc1F.Cc1c(F)c(F)c2c(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)c[nH]c2c1F.Cc1ccc(-c2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)o2)cc1.Cn1nc(C(F)(F)F)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C#N)c1Cl.N#Cc1c(/N=C/c2nc(-c3ccccc3)[nH]c2Cl)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The InChIKey is RIBINZKDPZDRNX-UFBZKAGOSA-N. The full InChI is InChI=1S/C23H17ClN4O.C22H22ClN5O.C21H14Cl2N6.C21H13ClF3N5.C19H14ClFN4O.C17H11Cl2F3N6/c1-15-5-7-17(8-6-15)22-10-9-19(29-22)14-26-23-20(13-25)21(27-28-23)12-16-3-2-4-18(24)11-16;1-14-20(28(2)3)10-16(11-21(14)29-4)13-25-22-18(12-24)19(26-27-22)9-15-6-5-7-17(23)8-15;22-15-8-4-5-13(9-15)10-17-16(11-24)21(29-28-17)25-12-18-19(23)27-20(26-18)14-6-2-1-3-7-14;1-10-17(23)19(25)16-12(8-27-20(16)18(10)24)9-28-21-14(7-26)15(29-30-21)6-11-3-2-4-13(22)5-11;1-26-18-6-5-13(8-16(18)21)11-23-19-15(10-22)17(24-25-19)9-12-3-2-4-14(20)7-12;1-28-15(19)12(14(27-28)17(20,21)22)8-24-16-11(7-23)13(25-26-16)6-9-3-2-4-10(18)5-9/h2-11,14H,12H2,1H3,(H,27,28);5-8,10-11,13H,9H2,1-4H3,(H,26,27);1-9,12H,10H2,(H,26,27)(H,28,29);2-5,8-9,27H,6H2,1H3,(H,29,30);2-8,11H,9H2,1H3,(H,24,25);2-5,8H,6H2,1H3,(H,25,26)/b26-14+;25-13+;25-12+;28-9+;23-11+;24-8+.
What are the key properties of 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile?
3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile has a molecular weight of 2453.90 g/mol, XLogP of 30.41, 29 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(5-chloro-2-phenyl-1H-imidazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[3-(dimethylamino)-5-methoxy-4-methylphenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[5-(4-methylphenyl)furan-2-yl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4,5,7-trifluoro-6-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 160632250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).