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

C130H113Cl7N30O12 — CID 159373516

IUPAC3-(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
SMILESCc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc([N+](=O)[O-])c(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c1.NC(=O)c1c(/N=C/C2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccccc1Cl
InChIInChI=1S/2C19H16ClN5O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O.C17H15ClN4O/c1-11-6-7-12(8-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;1-11-6-7-16(25(27)28)13(8-11)10-22-19-17(18(21)26)15(23-24-19)9-12-4-2-3-5-14(12)20;1-11-6-7-12(8-16(11)25)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)20;19-14-9-5-4-8-13(14)10-15-16(17(20)24)18(23-22-15)21-11-12-6-2-1-3-7-12;18-13-7-3-6-12(8-13)9-14-15(16(19)23)17(22-21-14)20-10-11-4-1-2-5-11/h2*2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(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);1,3-8,10H,2,9H2,(H2,19,23)(H,21,22)/b3*22-10+;2*22-11+;21-11+;20-10+
InChIKeyLKAKUYBQKYZSDR-MTDZMVHMSA-N
MW2535.70 g/mol
LogP25.43
Rot. Bonds37

About 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

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 (PubChem CID 159373516) has the molecular formula C130H113Cl7N30O12 and a molecular weight of 2535.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159373516
Molecular FormulaC130H113Cl7N30O12
Molecular Weight2535.70 g/mol
Exact Mass2530.70
IUPAC Name3-(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
SMILESCc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc([N+](=O)[O-])c(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c1.NC(=O)c1c(/N=C/C2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccccc1Cl
InChIInChI=1S/2C19H16ClN5O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O.C17H15ClN4O/c1-11-6-7-12(8-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;1-11-6-7-16(25(27)28)13(8-11)10-22-19-17(18(21)26)15(23-24-19)9-12-4-2-3-5-14(12)20;1-11-6-7-12(8-16(11)25)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)20;19-14-9-5-4-8-13(14)10-15-16(17(20)24)18(23-22-15)21-11-12-6-2-1-3-7-12;18-13-7-3-6-12(8-13)9-14-15(16(19)23)17(22-21-14)20-10-11-4-1-2-5-11/h2*2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(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);1,3-8,10H,2,9H2,(H2,19,23)(H,21,22)/b3*22-10+;2*22-11+;21-11+;20-10+
InChIKeyLKAKUYBQKYZSDR-MTDZMVHMSA-N
XLogP25.43
TPSA695.42 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.70
LogP ≤ 525.43
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

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-[(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 with MolForge

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Related Compounds

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
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-[(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
5-[(4-chlorophenyl)methyl]-3-[(3-ethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-hydroxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(3-methoxy-4-methylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(4-chlorophenyl)methyl]-3-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[2-(2-oxopropoxy)phenyl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 161477540
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-[(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(/C=N/c2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1O.Cc1ccc(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)cc1[N+](=O)[O-].Cc1ccc([N+](=O)[O-])c(/C=N/c2n[nH]c(Cc3ccccc3Cl)c2C(N)=O)c1.NC(=O)c1c(/N=C/C2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is LKAKUYBQKYZSDR-MTDZMVHMSA-N. The full InChI is InChI=1S/2C19H16ClN5O3.C19H17ClN4O2.2C19H17ClN4O.C18H15ClN4O.C17H15ClN4O/c1-11-6-7-12(8-16(11)25(27)28)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;1-11-6-7-16(25(27)28)13(8-11)10-22-19-17(18(21)26)15(23-24-19)9-12-4-2-3-5-14(12)20;1-11-6-7-12(8-16(11)25)10-22-19-17(18(21)26)15(23-24-19)9-13-4-2-3-5-14(13)20;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;1-12-6-8-13(9-7-12)11-22-19-17(18(21)25)16(23-24-19)10-14-4-2-3-5-15(14)20;19-14-9-5-4-8-13(14)10-15-16(17(20)24)18(23-22-15)21-11-12-6-2-1-3-7-12;18-13-7-3-6-12(8-13)9-14-15(16(19)23)17(22-21-14)20-10-11-4-1-2-5-11/h2*2-8,10H,9H2,1H3,(H2,21,26)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(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);1,3-8,10H,2,9H2,(H2,19,23)(H,21,22)/b3*22-10+;2*22-11+;21-11+;20-10+.
What are the key properties of 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?
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 has a molecular weight of 2535.70 g/mol, XLogP of 25.43, 37 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).