3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

C24H19FN4O3 — CID 2322032

IUPAC3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C24H19FN4O3/c1-32-22-13-16(7-12-21(22)30)14-26-27-24(31)20-15-29(19-5-3-2-4-6-19)28-23(20)17-8-10-18(25)11-9-17/h2-15,30H,1H3,(H,27,31)
InChIKeyQGFSJMNCVBEKCQ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.16
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 2322032) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
PubChem CID2322032
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O
InChIInChI=1S/C24H19FN4O3/c1-32-22-13-16(7-12-21(22)30)14-26-27-24(31)20-15-29(19-5-3-2-4-6-19)28-23(20)17-8-10-18(25)11-9-17/h2-15,30H,1H3,(H,27,31)
InChIKeyQGFSJMNCVBEKCQ-UHFFFAOYSA-N
XLogP4.16
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide (CID 2322032) is 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is COc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QGFSJMNCVBEKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-32-22-13-16(7-12-21(22)30)14-26-27-24(31)20-15-29(19-5-3-2-4-6-19)28-23(20)17-8-10-18(25)11-9-17/h2-15,30H,1H3,(H,27,31).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2322032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).