3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)

C113H99Cl6N25O11 — CID 157122249

IUPAC3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1cccc(O)c1/C=N/c1n[nH]c(Cc2ccccc2Cl)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN5O3.C19H17ClN4O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O/c1-11-5-6-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-3-2-4-14(20)7-12;1-27-16-8-4-7-15(25)12(16)10-22-19-17(18(21)26)14(23-24-19)9-11-5-2-3-6-13(11)20;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;2*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;19-14-8-4-7-13(9-14)10-15-16(17(20)24)18(23-22-15)21-11-12-5-2-1-3-6-12/h2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23)/b2*22-10+;3*22-11+;21-11+
InChIKeyAICKQTJJACXBPB-NWIXQNRLSA-N
MW2195.92 g/mol
LogP21.58
Rot. Bonds33

About 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)

3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) (PubChem CID 157122249) has the molecular formula C113H99Cl6N25O11 and a molecular weight of 2195.92 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide).

Molecular Properties

Compound Name3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
PubChem CID157122249
Molecular FormulaC113H99Cl6N25O11
Molecular Weight2195.92 g/mol
Exact Mass2191.61
IUPAC Name3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
SMILESCOc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1cccc(O)c1/C=N/c1n[nH]c(Cc2ccccc2Cl)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN5O3.C19H17ClN4O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O/c1-11-5-6-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-3-2-4-14(20)7-12;1-27-16-8-4-7-15(25)12(16)10-22-19-17(18(21)26)14(23-24-19)9-11-5-2-3-6-13(11)20;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;2*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;19-14-8-4-7-13(9-14)10-15-16(17(20)24)18(23-22-15)21-11-12-5-2-1-3-6-12/h2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23)/b2*22-10+;3*22-11+;21-11+
InChIKeyAICKQTJJACXBPB-NWIXQNRLSA-N
XLogP21.58
TPSA586.61 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002195.92
LogP ≤ 521.58
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

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 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) with MolForge

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Related Compounds

3-(benzylideneamino)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carbonitrile;5-[(3-chlorophenyl)methyl]-3-[(2,5-dihydroxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;5-[(4-methoxyphenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carbonitrile;bis(5-[(4-methoxyphenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile)
CID 157095861
5-[(3-chlorophenyl)methyl]-3-[(4-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-(5-methylpyrimidin-2-yl)oxyphenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 157958036
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 157996933
3-[(3-ethylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(3-hydroxy-4-methylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(2-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methoxyphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;bis(3-[(4-methylphenyl)methylideneamino]-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide)
CID 158367427
3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)
CID 158571084
5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxy-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylideneamino]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 159173162
3-(benzylideneamino)-5-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(cyclopenta-1,4-dien-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(5-methyl-2-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159373516
CID 159897063
CID 159897063
5-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(4-chlorophenyl)methyl]-3-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide
CID 160524547
3-(benzylideneamino)-5-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(cyclopenta-1,4-dien-1-ylmethylideneamino)-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(3-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(5-hydroxy-2-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 161280007
5-benzyl-3-(benzylideneamino)-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-benzyl-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;tris(5-benzyl-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide);5-[(3-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 161371583
3-(benzylideneamino)-5-[(4-nitrophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-5-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 161554516

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)?
The IUPAC name of 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) (CID 157122249) is 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide).
What is the SMILES notation for 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)?
The canonical SMILES for 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) is COc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.COc1cccc(O)c1/C=N/c1n[nH]c(Cc2ccccc2Cl)c1C(N)=O.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1[N+](=O)[O-].NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)?
The InChIKey is AICKQTJJACXBPB-NWIXQNRLSA-N. The full InChI is InChI=1S/C19H16ClN5O3.C19H17ClN4O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O/c1-11-5-6-13(9-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)8-12-3-2-4-14(20)7-12;1-27-16-8-4-7-15(25)12(16)10-22-19-17(18(21)26)14(23-24-19)9-11-5-2-3-6-13(11)20;1-26-15-7-5-12(6-8-15)11-22-19-17(18(21)25)16(23-24-19)10-13-3-2-4-14(20)9-13;2*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;19-14-8-4-7-13(9-14)10-15-16(17(20)24)18(23-22-15)21-11-12-5-2-1-3-6-12/h2-7,9-10H,8H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2*2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23)/b2*22-10+;3*22-11+;21-11+.
What are the key properties of 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide)?
3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) has a molecular weight of 2195.92 g/mol, XLogP of 21.58, 33 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-[(3-chlorophenyl)methyl]-1H-pyrazole-4-carboxamide;5-[(2-chlorophenyl)methyl]-3-[(2-hydroxy-6-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-3-nitrophenyl)methylideneamino]-1H-pyrazole-4-carboxamide;bis(5-[(3-chlorophenyl)methyl]-3-[(4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide) is sourced from PubChem (CID 157122249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).