5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile

C102H78Cl4N24O3 — CID 157313411

IUPAC5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C#N)cc1.Cc1ccc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)cc2)nc1.N#Cc1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C24H18ClN5O.C22H15ClN6O.C19H15ClN4O.C19H15ClN4.C18H15N5/c1-16-5-10-23(27-14-16)31-20-8-6-17(7-9-20)15-28-24-21(13-26)22(29-30-24)12-18-3-2-4-19(25)11-18;23-17-4-1-3-16(11-17)12-20-19(13-24)21(29-28-20)27-14-15-5-7-18(8-6-15)30-22-25-9-2-10-26-22;1-12-6-7-13(8-18(12)25)11-22-19-15(10-21)17(23-24-19)9-14-4-2-3-5-16(14)20;1-13-6-8-14(9-7-13)12-22-19-16(11-21)18(23-24-19)10-15-4-2-3-5-17(15)20;1-13-4-6-14(7-5-13)12-21-18-16(10-19)17(22-23-18)9-15-3-2-8-20-11-15/h2-11,14-15H,12H2,1H3,(H,29,30);1-11,14H,12H2,(H,28,29);2-8,11,25H,9H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-8,11-12H,9H2,1H3,(H,22,23)/b28-15+;27-14+;22-11+;22-12+;21-12+
InChIKeyBDHMBUNVTZXATM-FMQPLQLKSA-N
MW1829.72 g/mol
LogP22.83
Rot. Bonds24

About 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile

5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile (PubChem CID 157313411) has the molecular formula C102H78Cl4N24O3 and a molecular weight of 1829.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
PubChem CID157313411
Molecular FormulaC102H78Cl4N24O3
Molecular Weight1829.72 g/mol
Exact Mass1826.54
IUPAC Name5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C#N)cc1.Cc1ccc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)cc2)nc1.N#Cc1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C24H18ClN5O.C22H15ClN6O.C19H15ClN4O.C19H15ClN4.C18H15N5/c1-16-5-10-23(27-14-16)31-20-8-6-17(7-9-20)15-28-24-21(13-26)22(29-30-24)12-18-3-2-4-19(25)11-18;23-17-4-1-3-16(11-17)12-20-19(13-24)21(29-28-20)27-14-15-5-7-18(8-6-15)30-22-25-9-2-10-26-22;1-12-6-7-13(8-18(12)25)11-22-19-15(10-21)17(23-24-19)9-14-4-2-3-5-16(14)20;1-13-6-8-14(9-7-13)12-22-19-16(11-21)18(23-24-19)10-15-4-2-3-5-17(15)20;1-13-4-6-14(7-5-13)12-21-18-16(10-19)17(22-23-18)9-15-3-2-8-20-11-15/h2-11,14-15H,12H2,1H3,(H,29,30);1-11,14H,12H2,(H,28,29);2-8,11,25H,9H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-8,11-12H,9H2,1H3,(H,22,23)/b28-15+;27-14+;22-11+;22-12+;21-12+
InChIKeyBDHMBUNVTZXATM-FMQPLQLKSA-N
XLogP22.83
TPSA414.40 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.72
LogP ≤ 522.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 157185793
3-[(2-chloro-1-methylindol-3-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-methoxy-5-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(1-methylsulfonylpiperidin-4-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 157400939
3-[(4-acetylpiperazin-1-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;3-[(2-chloro-6-hydroxyphenyl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2,4-dimethylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157662633
5-benzyl-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-methylphenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
CID 157663898
3-[(2-chloro-6-hydroxyphenyl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-propoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methylamino]-1H-pyrazole-4-carbonitrile
CID 157799790
5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2,4-dimethylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethyl]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
CID 158102144
5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2,4-dimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 158332927
3-[(4-acetylpiperazin-1-yl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2,4-dimethylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile
CID 158591751
5-[(3-chlorophenyl)methyl]-3-[2-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethyl]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
CID 159430793
5-[(3-chlorophenyl)methyl]-3-[2-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethyl]-1H-pyrazole-4-carbonitrile;methane;3-[(4-methylphenyl)methylamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile
CID 160331478
5-[(3-chlorophenyl)methyl]-3-[(2-chloro-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-fluoro-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[2-(1-methylpiperidin-4-yl)ethylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 160953190
3-[(2-chloro-4-methylphenyl)methylamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-chloro-4-pyrazol-1-ylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3,5-difluoro-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-propoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile
CID 161088382

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile (CID 157313411) is 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile is Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C#N)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccnc3)c2C#N)cc1.Cc1ccc(Oc2ccc(/C=N/c3n[nH]c(Cc4cccc(Cl)c4)c3C#N)cc2)nc1.N#Cc1c(/N=C/c2ccc(Oc3ncccn3)cc2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is BDHMBUNVTZXATM-FMQPLQLKSA-N. The full InChI is InChI=1S/C24H18ClN5O.C22H15ClN6O.C19H15ClN4O.C19H15ClN4.C18H15N5/c1-16-5-10-23(27-14-16)31-20-8-6-17(7-9-20)15-28-24-21(13-26)22(29-30-24)12-18-3-2-4-19(25)11-18;23-17-4-1-3-16(11-17)12-20-19(13-24)21(29-28-20)27-14-15-5-7-18(8-6-15)30-22-25-9-2-10-26-22;1-12-6-7-13(8-18(12)25)11-22-19-15(10-21)17(23-24-19)9-14-4-2-3-5-16(14)20;1-13-6-8-14(9-7-13)12-22-19-16(11-21)18(23-24-19)10-15-4-2-3-5-17(15)20;1-13-4-6-14(7-5-13)12-21-18-16(10-19)17(22-23-18)9-15-3-2-8-20-11-15/h2-11,14-15H,12H2,1H3,(H,29,30);1-11,14H,12H2,(H,28,29);2-8,11,25H,9H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-8,11-12H,9H2,1H3,(H,22,23)/b28-15+;27-14+;22-11+;22-12+;21-12+.
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile?
5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 1829.72 g/mol, XLogP of 22.83, 24 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 157313411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).