3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide

C125H107Cl7N32O8 — CID 157256194

IUPAC3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2cnc[nH]2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O.C19H17ClN4O2.C19H17ClN4O.C18H15ClN4O.2C16H14ClN5O.C15H13ClN6O/c23-17-9-3-5-14(11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-8-4-7-15-6-1-2-10-18(15)16;1-26-16-8-3-2-6-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-5-4-7-14(20)9-12;1-12-5-7-13(8-6-12)11-22-19-17(18(21)25)16(23-24-19)10-14-3-2-4-15(20)9-14;19-14-8-6-12(7-9-14)10-15-16(17(20)24)18(23-22-15)21-11-13-4-2-1-3-5-13;17-11-4-1-3-10(7-11)8-13-14(15(18)23)16(22-21-13)20-9-12-5-2-6-19-12;17-11-5-3-10(4-6-11)8-13-14(15(18)23)16(22-21-13)20-9-12-2-1-7-19-12;16-10-3-1-2-9(4-10)5-12-13(14(17)23)15(22-21-12)19-7-11-6-18-8-20-11/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-7,9,19H,8H2,(H2,18,23)(H,21,22);1-4,6-8H,5H2,(H2,17,23)(H,18,20)(H,21,22)/b25-13+;2*22-11+;21-11+;2*20-9+;19-7+
InChIKeyAWXPBZZHPDRJBV-IUHCGUAESA-N
MW2433.62 g/mol
LogP23.37
Rot. Bonds36

About 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide

3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide (PubChem CID 157256194) has the molecular formula C125H107Cl7N32O8 and a molecular weight of 2433.62 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
PubChem CID157256194
Molecular FormulaC125H107Cl7N32O8
Molecular Weight2433.62 g/mol
Exact Mass2428.68
IUPAC Name3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2cnc[nH]2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O.C19H17ClN4O2.C19H17ClN4O.C18H15ClN4O.2C16H14ClN5O.C15H13ClN6O/c23-17-9-3-5-14(11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-8-4-7-15-6-1-2-10-18(15)16;1-26-16-8-3-2-6-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-5-4-7-14(20)9-12;1-12-5-7-13(8-6-12)11-22-19-17(18(21)25)16(23-24-19)10-14-3-2-4-15(20)9-14;19-14-8-6-12(7-9-14)10-15-16(17(20)24)18(23-22-15)21-11-13-4-2-1-3-5-13;17-11-4-1-3-10(7-11)8-13-14(15(18)23)16(22-21-13)20-9-12-5-2-6-19-12;17-11-5-3-10(4-6-11)8-13-14(15(18)23)16(22-21-13)20-9-12-2-1-7-19-12;16-10-3-1-2-9(4-10)5-12-13(14(17)23)15(22-21-12)19-7-11-6-18-8-20-11/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-7,9,19H,8H2,(H2,18,23)(H,21,22);1-4,6-8H,5H2,(H2,17,23)(H,18,20)(H,21,22)/b25-13+;2*22-11+;21-11+;2*20-9+;19-7+
InChIKeyAWXPBZZHPDRJBV-IUHCGUAESA-N
XLogP23.37
TPSA658.40 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.62
LogP ≤ 523.37
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[(4-acetylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(4-carbamoylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-3-methoxy-4-methylphenyl]ethyl]-1H-pyrazole-4-carboxamide;ethyl 3-[[4-carbamoyl-3-[2-(4-methylphenyl)ethyl]-1H-pyrazol-5-yl]methyl]benzoate;5-[(3-ethylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-(isocyanomethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-isocyanophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157755744
CID 158029855
CID 158029855
3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-3-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-pyrrol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 158605438
5-[[5-chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 158998287
5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 159810097
CID 159908641
CID 159908641
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-chloro-5-methylpyrazin-2-yl)methylideneamino]-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3H-indazol-6-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(pyrazin-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 160891423
5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 161492140
6-(4-chlorophenyl)-3-[2-methyl-6-(prop-2-enoylamino)phenyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-[(prop-2-enoylamino)methyl]-5H-imidazo[1,2-b]pyrazole-7-carboxamide;6-(4-phenoxyphenyl)-3-(1-prop-2-enoylpiperidin-4-yl)-5H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 161803068
5-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-imidazol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-phenylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 161927952

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide (CID 157256194) is 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide is COc1ccccc1/C=N/c1n[nH]c(Cc2cccc(Cl)c2)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2cccc3ccccc23)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2cnc[nH]2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
The InChIKey is AWXPBZZHPDRJBV-IUHCGUAESA-N. The full InChI is InChI=1S/C22H17ClN4O.C19H17ClN4O2.C19H17ClN4O.C18H15ClN4O.2C16H14ClN5O.C15H13ClN6O/c23-17-9-3-5-14(11-17)12-19-20(21(24)28)22(27-26-19)25-13-16-8-4-7-15-6-1-2-10-18(15)16;1-26-16-8-3-2-6-13(16)11-22-19-17(18(21)25)15(23-24-19)10-12-5-4-7-14(20)9-12;1-12-5-7-13(8-6-12)11-22-19-17(18(21)25)16(23-24-19)10-14-3-2-4-15(20)9-14;19-14-8-6-12(7-9-14)10-15-16(17(20)24)18(23-22-15)21-11-13-4-2-1-3-5-13;17-11-4-1-3-10(7-11)8-13-14(15(18)23)16(22-21-13)20-9-12-5-2-6-19-12;17-11-5-3-10(4-6-11)8-13-14(15(18)23)16(22-21-13)20-9-12-2-1-7-19-12;16-10-3-1-2-9(4-10)5-12-13(14(17)23)15(22-21-12)19-7-11-6-18-8-20-11/h1-11,13H,12H2,(H2,24,28)(H,26,27);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-7,9,19H,8H2,(H2,18,23)(H,21,22);1-4,6-8H,5H2,(H2,17,23)(H,18,20)(H,21,22)/b25-13+;2*22-11+;21-11+;2*20-9+;19-7+.
What are the key properties of 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide?
3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide has a molecular weight of 2433.62 g/mol, XLogP of 23.37, 36 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-imidazol-5-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-(1H-pyrrol-2-ylmethylideneamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157256194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).