1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

C18H14Cl2N4O2 — CID 3568309

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccn(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O2/c19-14-4-3-13(16(20)9-14)11-24-8-7-17(23-24)18(26)22-21-10-12-1-5-15(25)6-2-12/h1-10,25H,11H2,(H,22,26)
InChIKeyNLZPKICPQGKVNK-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.71
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 3568309) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
PubChem CID3568309
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1ccn(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O2/c19-14-4-3-13(16(20)9-14)11-24-8-7-17(23-24)18(26)22-21-10-12-1-5-15(25)6-2-12/h1-10,25H,11H2,(H,22,26)
InChIKeyNLZPKICPQGKVNK-UHFFFAOYSA-N
XLogP3.71
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.71
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

1-benzyl-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951786
1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951776
3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951778
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951787
1-(2,4-dichlorobenzyl)-N'-(2-hydroxy-3-methoxybenzylidene)-1H-pyrazole-3-carbohydrazide
CID 135411642
3-(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135603933
1-(4-chlorobenzyl)-N'-(2-hydroxy-5-methoxybenzylidene)-1H-pyrazole-3-carbohydrazide
CID 135411547
N'~1~-{(E)-1-[1-(2-Chloro-6-fluorobenzyl)-3-phenyl-1H-pyrazol-4-YL]methylidene}-4-hydroxybenzohydrazide
CID 19578405
1-[(5-Chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)-1H-pyrazole-3-carboxamide
CID 66725374
3-(2,4-dichlorophenyl)-N-[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136508314
3-(4-chlorophenyl)-N-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 681555
3-(2,4-dichlorophenyl)-N-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide (CID 3568309) is 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is O=C(NN=Cc1ccc(O)cc1)c1ccn(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is NLZPKICPQGKVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-14-4-3-13(16(20)9-14)11-24-8-7-17(23-24)18(26)22-21-10-12-1-5-15(25)6-2-12/h1-10,25H,11H2,(H,22,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-[(4-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 3568309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).