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

C88H77Cl5N22O7 — CID 158605438

About 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

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 (PubChem CID 158605438) has the molecular formula C88H77Cl5N22O7 and a molecular weight of 1732.00 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158605438
• Molecular Formula: C88H77Cl5N22O7
• Molecular Weight: 1732.00 g/mol
• Exact Mass: 1728.48
• IUPAC Name: 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
• SMILES: COc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1cc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)ccc1O.NC(=O)c1c(/N=C/C2=CCC=N2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccc(Cl)cc1
• InChI: InChI=1S/2C19H17ClN4O2.C18H15ClN4O.2C16H14ClN5O/c1-26-15-8-4-13(5-9-15)11-22-19-17(18(21)25)16(23-24-19)10-12-2-6-14(20)7-3-12;1-11-8-13(4-7-16(11)25)10-22-19-17(18(21)26)15(23-24-19)9-12-2-5-14(20)6-3-12;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/h2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23);1,3-7,9H,2,8H2,(H2,18,23)(H,21,22);1-7,9,19H,8H2,(H2,18,23)(H,21,22)/b22-11+;22-10+;21-11+;2*20-9+
• InChIKey: HWDUTFBXHSPIHE-CSGOHNNJSA-N
• XLogP: 16.18
• TPSA: 478.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1732.00
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)cc1.Cc1cc(/C=N/c2n[nH]c(Cc3ccc(Cl)cc3)c2C(N)=O)ccc1O.NC(=O)c1c(/N=C/C2=CCC=N2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(/N=C/c2ccc[nH]2)n[nH]c1Cc1ccc(Cl)cc1.NC(=O)c1c(/N=C/c2ccccc2)n[nH]c1Cc1ccc(Cl)cc1.

What is the InChIKey of 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?

The InChIKey is HWDUTFBXHSPIHE-CSGOHNNJSA-N. The full InChI is InChI=1S/2C19H17ClN4O2.C18H15ClN4O.2C16H14ClN5O/c1-26-15-8-4-13(5-9-15)11-22-19-17(18(21)25)16(23-24-19)10-12-2-6-14(20)7-3-12;1-11-8-13(4-7-16(11)25)10-22-19-17(18(21)26)15(23-24-19)9-12-2-5-14(20)6-3-12;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/h2-9,11H,10H2,1H3,(H2,21,25)(H,23,24);2-8,10,25H,9H2,1H3,(H2,21,26)(H,23,24);1-9,11H,10H2,(H2,20,24)(H,22,23);1,3-7,9H,2,8H2,(H2,18,23)(H,21,22);1-7,9,19H,8H2,(H2,18,23)(H,21,22)/b22-11+;22-10+;21-11+;2*20-9+.

What are the key properties of 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?

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 has a molecular weight of 1732.00 g/mol, XLogP of 16.18, 26 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158605438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).