N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide

C18H14ClFN4O2 — CID 6906088

IUPACN-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-11-16(10-21-22-18(26)12-2-8-15(25)9-3-12)17(19)24(23-11)14-6-4-13(20)5-7-14/h2-10,25H,1H3,(H,22,26)/b21-10+
InChIKeyVATYOGDSBIPGEU-UFFVCSGVSA-N
MW372.79 g/mol
LogP3.44
Rot. Bonds4

About N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 6906088) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID6906088
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC NameN-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H14ClFN4O2/c1-11-16(10-21-22-18(26)12-2-8-15(25)9-3-12)17(19)24(23-11)14-6-4-13(20)5-7-14/h2-10,25H,1H3,(H,22,26)/b21-10+
InChIKeyVATYOGDSBIPGEU-UFFVCSGVSA-N
XLogP3.44
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide 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

5-chloro-N'-(2-hydroxybenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 8180364
5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic acid (4-hydroxy-benzylidene)-hydrazide
CID 135498037
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
4-methoxy-N'-[(5-methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 9558623
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3,5-dihydroxybenzohydrazide
CID 17126791
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5862282
3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(E)-(4-hydroxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135554347
N-[(1E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl](4-methoxyphenyl)carboxamide
CID 9594440
N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 2456699
N'~1~-{(E)-1-[1-(2-Chloro-6-fluorobenzyl)-3-phenyl-1H-pyrazol-4-YL]methylidene}-4-hydroxybenzohydrazide
CID 19578405
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-hydroxybenzamide
CID 10136566
1-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136002269

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 6906088) is N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide is Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is VATYOGDSBIPGEU-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-11-16(10-21-22-18(26)12-2-8-15(25)9-3-12)17(19)24(23-11)14-6-4-13(20)5-7-14/h2-10,25H,1H3,(H,22,26)/b21-10+.
What are the key properties of N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 372.79 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6906088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).