5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

C113H86Cl4F2N26O7 — CID 160928878

IUPAC5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1[N+](=O)[O-].N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1cccc(Cl)c1.N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1ccccc1.N#Cc1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccccc1
InChIInChI=1S/C20H14ClFN4O2.C20H15FN4O2.C19H14ClN5O2.C19H15ClN4O.C19H15ClN4.C16H13N5/c21-15-3-1-2-12(4-15)5-18-17(8-23)20(26-25-18)24-9-13-6-16(22)7-14-10-27-11-28-19(13)14;21-16-7-14(19-15(8-16)11-26-12-27-19)10-23-20-17(9-22)18(24-25-20)6-13-4-2-1-3-5-13;1-12-2-3-14(9-18(12)25(26)27)11-22-19-16(10-21)17(23-24-19)8-13-4-6-15(20)7-5-13;1-25-16-8-4-14(5-9-16)12-22-19-17(11-21)18(23-24-19)10-13-2-6-15(20)7-3-13;1-13-2-4-15(5-3-13)12-22-19-17(11-21)18(23-24-19)10-14-6-8-16(20)9-7-14;17-10-14-15(9-12-5-2-1-3-6-12)20-21-16(14)19-11-13-7-4-8-18-13/h1-4,6-7,9H,5,10-11H2,(H,25,26);1-5,7-8,10H,6,11-12H2,(H,24,25);2-7,9,11H,8H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);1-8,11,18H,9H2,(H,20,21)/b24-9+;23-10+;22-11+;2*22-12+;19-11+
InChIKeySSZNPNXYJBTWDY-AMYHBTBFSA-N
MW2099.91 g/mol
LogP24.22
Rot. Bonds26

About 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile

5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (PubChem CID 160928878) has the molecular formula C113H86Cl4F2N26O7 and a molecular weight of 2099.91 g/mol. Its IUPAC name is 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
PubChem CID160928878
Molecular FormulaC113H86Cl4F2N26O7
Molecular Weight2099.91 g/mol
Exact Mass2096.59
IUPAC Name5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1[N+](=O)[O-].N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1cccc(Cl)c1.N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1ccccc1.N#Cc1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccccc1
InChIInChI=1S/C20H14ClFN4O2.C20H15FN4O2.C19H14ClN5O2.C19H15ClN4O.C19H15ClN4.C16H13N5/c21-15-3-1-2-12(4-15)5-18-17(8-23)20(26-25-18)24-9-13-6-16(22)7-14-10-27-11-28-19(13)14;21-16-7-14(19-15(8-16)11-26-12-27-19)10-23-20-17(9-22)18(24-25-20)6-13-4-2-1-3-5-13;1-12-2-3-14(9-18(12)25(26)27)11-22-19-16(10-21)17(23-24-19)8-13-4-6-15(20)7-5-13;1-25-16-8-4-14(5-9-16)12-22-19-17(11-21)18(23-24-19)10-13-2-6-15(20)7-3-13;1-13-2-4-15(5-3-13)12-22-19-17(11-21)18(23-24-19)10-14-6-8-16(20)9-7-14;17-10-14-15(9-12-5-2-1-3-6-12)20-21-16(14)19-11-13-7-4-8-18-13/h1-4,6-7,9H,5,10-11H2,(H,25,26);1-5,7-8,10H,6,11-12H2,(H,24,25);2-7,9,11H,8H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);1-8,11,18H,9H2,(H,20,21)/b24-9+;23-10+;22-11+;2*22-12+;19-11+
InChIKeySSZNPNXYJBTWDY-AMYHBTBFSA-N
XLogP24.22
TPSA494.06 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002099.91
LogP ≤ 524.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile with MolForge

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Related Compounds

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
5-benzyl-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
CID 158677516
5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
CID 161051447
5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 161748427
3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile
CID 161964183

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile (CID 160928878) is 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is COc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C#N)cc1[N+](=O)[O-].N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1cccc(Cl)c1.N#Cc1c(/N=C/c2cc(F)cc3c2OCOC3)n[nH]c1Cc1ccccc1.N#Cc1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
The InChIKey is SSZNPNXYJBTWDY-AMYHBTBFSA-N. The full InChI is InChI=1S/C20H14ClFN4O2.C20H15FN4O2.C19H14ClN5O2.C19H15ClN4O.C19H15ClN4.C16H13N5/c21-15-3-1-2-12(4-15)5-18-17(8-23)20(26-25-18)24-9-13-6-16(22)7-14-10-27-11-28-19(13)14;21-16-7-14(19-15(8-16)11-26-12-27-19)10-23-20-17(9-22)18(24-25-20)6-13-4-2-1-3-5-13;1-12-2-3-14(9-18(12)25(26)27)11-22-19-16(10-21)17(23-24-19)8-13-4-6-15(20)7-5-13;1-25-16-8-4-14(5-9-16)12-22-19-17(11-21)18(23-24-19)10-13-2-6-15(20)7-3-13;1-13-2-4-15(5-3-13)12-22-19-17(11-21)18(23-24-19)10-14-6-8-16(20)9-7-14;17-10-14-15(9-12-5-2-1-3-6-12)20-21-16(14)19-11-13-7-4-8-18-13/h1-4,6-7,9H,5,10-11H2,(H,25,26);1-5,7-8,10H,6,11-12H2,(H,24,25);2-7,9,11H,8H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);2-9,12H,10H2,1H3,(H,23,24);1-8,11,18H,9H2,(H,20,21)/b24-9+;23-10+;22-11+;2*22-12+;19-11+.
What are the key properties of 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile?
5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile has a molecular weight of 2099.91 g/mol, XLogP of 24.22, 26 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-benzyl-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 160928878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).