5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide

C141H131Cl7FN29O16S — CID 158625801

IUPAC5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1O.COc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1OCc1cnc(C)s1.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(C)c1C.COc1ccc(C)cc1CNc1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.COc1ccc(F)cc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1cc(O)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.NC(=O)c1c(/N=C/c2ccccc2O)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C24H22ClN5O3S.C21H21ClN4O2.C20H21ClN4O2.C20H19ClN4O2.C19H16ClFN4O2.C19H17ClN4O3.C18H15ClN4O2/c1-14-27-12-18(34-14)13-33-20-7-6-16(10-21(20)32-2)11-28-24-22(23(26)31)19(29-30-24)9-15-4-3-5-17(25)8-15;1-12-13(2)18(28-3)8-7-15(12)11-24-21-19(20(23)27)17(25-26-21)10-14-5-4-6-16(22)9-14;1-12-6-7-17(27-2)14(8-12)11-23-20-18(19(22)26)16(24-25-20)10-13-4-3-5-15(21)9-13;1-2-13-6-4-7-14(18(13)26)11-23-20-17(19(22)27)16(24-25-20)10-12-5-3-8-15(21)9-12;1-27-16-6-5-14(21)9-12(16)10-23-19-17(18(22)26)15(24-25-19)8-11-3-2-4-13(20)7-11;1-10-5-15(25)13(16(26)6-10)9-22-19-17(18(21)27)14(23-24-19)8-11-3-2-4-12(20)7-11;19-13-6-3-4-11(8-13)9-14-16(17(20)25)18(23-22-14)21-10-12-5-1-2-7-15(12)24/h3-8,10-12H,9,13H2,1-2H3,(H2,26,31)(H,29,30);4-9,11H,10H2,1-3H3,(H2,23,27)(H,25,26);3-9H,10-11H2,1-2H3,(H2,22,26)(H2,23,24,25);3-9,11,26H,2,10H2,1H3,(H2,22,27)(H,24,25);2-7,9-10H,8H2,1H3,(H2,22,26)(H,24,25);2-7,9,25-26H,8H2,1H3,(H2,21,27)(H,23,24);1-8,10,24H,9H2,(H2,20,25)(H,22,23)/b28-11+;24-11+;;23-11+;23-10+;22-9+;21-10+
InChIKeyHYORKUIVMWPUGG-OTARASRZSA-N
MW2787.02 g/mol
LogP26.52
Rot. Bonds44

About 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide

5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 158625801) has the molecular formula C141H131Cl7FN29O16S and a molecular weight of 2787.02 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
PubChem CID158625801
Molecular FormulaC141H131Cl7FN29O16S
Molecular Weight2787.02 g/mol
Exact Mass2781.79
IUPAC Name5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1O.COc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1OCc1cnc(C)s1.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(C)c1C.COc1ccc(C)cc1CNc1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.COc1ccc(F)cc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1cc(O)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.NC(=O)c1c(/N=C/c2ccccc2O)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C24H22ClN5O3S.C21H21ClN4O2.C20H21ClN4O2.C20H19ClN4O2.C19H16ClFN4O2.C19H17ClN4O3.C18H15ClN4O2/c1-14-27-12-18(34-14)13-33-20-7-6-16(10-21(20)32-2)11-28-24-22(23(26)31)19(29-30-24)9-15-4-3-5-17(25)8-15;1-12-13(2)18(28-3)8-7-15(12)11-24-21-19(20(23)27)17(25-26-21)10-14-5-4-6-16(22)9-14;1-12-6-7-17(27-2)14(8-12)11-23-20-18(19(22)26)16(24-25-20)10-13-4-3-5-15(21)9-13;1-2-13-6-4-7-14(18(13)26)11-23-20-17(19(22)27)16(24-25-20)10-12-5-3-8-15(21)9-12;1-27-16-6-5-14(21)9-12(16)10-23-19-17(18(22)26)15(24-25-19)8-11-3-2-4-13(20)7-11;1-10-5-15(25)13(16(26)6-10)9-22-19-17(18(21)27)14(23-24-19)8-11-3-2-4-12(20)7-11;19-13-6-3-4-11(8-13)9-14-16(17(20)25)18(23-22-14)21-10-12-5-1-2-7-15(12)24/h3-8,10-12H,9,13H2,1-2H3,(H2,26,31)(H,29,30);4-9,11H,10H2,1-3H3,(H2,23,27)(H,25,26);3-9H,10-11H2,1-2H3,(H2,22,26)(H2,23,24,25);3-9,11,26H,2,10H2,1H3,(H2,22,27)(H,24,25);2-7,9-10H,8H2,1H3,(H2,22,26)(H,24,25);2-7,9,25-26H,8H2,1H3,(H2,21,27)(H,23,24);1-8,10,24H,9H2,(H2,20,25)(H,22,23)/b28-11+;24-11+;;23-11+;23-10+;22-9+;21-10+
InChIKeyHYORKUIVMWPUGG-OTARASRZSA-N
XLogP26.52
TPSA728.54 Ų
H-Bond Donors19
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002787.02
LogP ≤ 526.52
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

CID 160822482
CID 160822482
5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-5-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 162156800
5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159022412

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide (CID 158625801) is 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide is CCc1cccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1O.COc1cc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1OCc1cnc(C)s1.COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(C)c1C.COc1ccc(C)cc1CNc1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.COc1ccc(F)cc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1cc(O)c(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c(O)c1.NC(=O)c1c(/N=C/c2ccccc2O)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
The InChIKey is HYORKUIVMWPUGG-OTARASRZSA-N. The full InChI is InChI=1S/C24H22ClN5O3S.C21H21ClN4O2.C20H21ClN4O2.C20H19ClN4O2.C19H16ClFN4O2.C19H17ClN4O3.C18H15ClN4O2/c1-14-27-12-18(34-14)13-33-20-7-6-16(10-21(20)32-2)11-28-24-22(23(26)31)19(29-30-24)9-15-4-3-5-17(25)8-15;1-12-13(2)18(28-3)8-7-15(12)11-24-21-19(20(23)27)17(25-26-21)10-14-5-4-6-16(22)9-14;1-12-6-7-17(27-2)14(8-12)11-23-20-18(19(22)26)16(24-25-20)10-13-4-3-5-15(21)9-13;1-2-13-6-4-7-14(18(13)26)11-23-20-17(19(22)27)16(24-25-20)10-12-5-3-8-15(21)9-12;1-27-16-6-5-14(21)9-12(16)10-23-19-17(18(22)26)15(24-25-19)8-11-3-2-4-13(20)7-11;1-10-5-15(25)13(16(26)6-10)9-22-19-17(18(21)27)14(23-24-19)8-11-3-2-4-12(20)7-11;19-13-6-3-4-11(8-13)9-14-16(17(20)25)18(23-22-14)21-10-12-5-1-2-7-15(12)24/h3-8,10-12H,9,13H2,1-2H3,(H2,26,31)(H,29,30);4-9,11H,10H2,1-3H3,(H2,23,27)(H,25,26);3-9H,10-11H2,1-2H3,(H2,22,26)(H2,23,24,25);3-9,11,26H,2,10H2,1H3,(H2,22,27)(H,24,25);2-7,9-10H,8H2,1H3,(H2,22,26)(H,24,25);2-7,9,25-26H,8H2,1H3,(H2,21,27)(H,23,24);1-8,10,24H,9H2,(H2,20,25)(H,22,23)/b28-11+;24-11+;;23-11+;23-10+;22-9+;21-10+.
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide?
5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 2787.02 g/mol, XLogP of 26.52, 44 rotatable bonds, 19 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-[(2,6-dihydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-ethyl-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-fluoro-2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158625801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).