5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide

C24H17Cl3N4O2 — CID 137175244

IUPAC5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N/N=C/c2ccc(O)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl3N4O2/c1-14-22(24(33)29-28-13-15-2-9-19(32)10-3-15)30-31(18-8-11-20(26)21(27)12-18)23(14)16-4-6-17(25)7-5-16/h2-13,32H,1H3,(H,29,33)/b28-13+
InChIKeyPIVCNUADWHAWMK-XODNFHPESA-N
MW499.79 g/mol
LogP6.28
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide (PubChem CID 137175244) has the molecular formula C24H17Cl3N4O2 and a molecular weight of 499.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide
PubChem CID137175244
Molecular FormulaC24H17Cl3N4O2
Molecular Weight499.79 g/mol
Exact Mass498.04
IUPAC Name5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N/N=C/c2ccc(O)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H17Cl3N4O2/c1-14-22(24(33)29-28-13-15-2-9-19(32)10-3-15)30-31(18-8-11-20(26)21(27)12-18)23(14)16-4-6-17(25)7-5-16/h2-13,32H,1H3,(H,29,33)/b28-13+
InChIKeyPIVCNUADWHAWMK-XODNFHPESA-N
XLogP6.28
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.79
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyrazole-3-carboxamide
CID 127034277
5-cyano-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 126067225
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
1-(4-chlorophenyl)-5-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 126066526
1-(4-chlorophenyl)-5-cyano-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 137138076
5-cyano-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-1-(4-ethoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 126063677
1-(3-chloro-4-methylphenyl)-5-cyano-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methyl-6-oxopyridazine-3-carboxamide
CID 135590133
N-[(E)-[4-[(4-chlorophenyl)iminomethyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 71816318
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
5-(4-chlorophenyl)-4-methyl-1-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 86271988
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136764624
5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyridazine-3-carboxamide
CID 126064936

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide (CID 137175244) is 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide?
The InChIKey is PIVCNUADWHAWMK-XODNFHPESA-N. The full InChI is InChI=1S/C24H17Cl3N4O2/c1-14-22(24(33)29-28-13-15-2-9-19(32)10-3-15)30-31(18-8-11-20(26)21(27)12-18)23(14)16-4-6-17(25)7-5-16/h2-13,32H,1H3,(H,29,33)/b28-13+.
What are the key properties of 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide has a molecular weight of 499.79 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137175244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).