1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide

C18H15ClN4O2 — CID 135411442

IUPAC1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN4O2/c19-15-7-5-13(6-8-15)12-23-10-9-16(22-23)18(25)21-20-11-14-3-1-2-4-17(14)24/h1-11,24H,12H2,(H,21,25)/b20-11+
InChIKeyKHFDZYQAKRKBJH-RGVLZGJSSA-N
MW354.80 g/mol
LogP3.05
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 135411442) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
PubChem CID135411442
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN4O2/c19-15-7-5-13(6-8-15)12-23-10-9-16(22-23)18(25)21-20-11-14-3-1-2-4-17(14)24/h1-11,24H,12H2,(H,21,25)/b20-11+
InChIKeyKHFDZYQAKRKBJH-RGVLZGJSSA-N
XLogP3.05
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N'-[4-(diethylamino)-2-hydroxybenzylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135401471
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
1-benzyl-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951786
3-tert-butyl-N'-[(E)-(2-hydroxyphenyl)methylidene]-1-phenyl-1H-pyrazole-5-carbohydrazide
CID 135497985
1-[(4-tert-butylphenyl)methyl]-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-chlorophenyl)pyrazole-5-carboxamide
CID 135896325
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
3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 136126502
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 136126542
1-[(4-tert-butylphenyl)methyl]-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-phenylpyrazole-5-carboxamide
CID 136045862
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyrazole-5-carboxamide
CID 136045865

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide (CID 135411442) is 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is KHFDZYQAKRKBJH-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-15-7-5-13(6-8-15)12-23-10-9-16(22-23)18(25)21-20-11-14-3-1-2-4-17(14)24/h1-11,24H,12H2,(H,21,25)/b20-11+.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 135411442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).