4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide

C24H20FN5O2 — CID 171982102

IUPAC4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide
SMILESCC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2/c1-15-21(24(32)30(29-15)20-8-3-2-4-9-20)22(17-6-5-7-18(25)14-17)27-28-23(31)16-10-12-19(26)13-11-16/h2-14,21H,26H2,1H3,(H,28,31)/b27-22+
InChIKeyWAYWTFNGVZRMLS-HPNDGRJYSA-N
MW429.46 g/mol
LogP3.58
Rot. Bonds5

About 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide

4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide (PubChem CID 171982102) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide
PubChem CID171982102
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide
SMILESCC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2/c1-15-21(24(32)30(29-15)20-8-3-2-4-9-20)22(17-6-5-7-18(25)14-17)27-28-23(31)16-10-12-19(26)13-11-16/h2-14,21H,26H2,1H3,(H,28,31)/b27-22+
InChIKeyWAYWTFNGVZRMLS-HPNDGRJYSA-N
XLogP3.58
TPSA100.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide 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

N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
CID 177465478
4-bromo-N-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
CID 5211976
1-[(E)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-phenylthiourea
CID 6016789
N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 51107848
1-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-prop-2-enylthiourea
CID 4049959
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
[(E)-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea
CID 27735780
(4S)-5-methyl-2-phenyl-4-(4-phenylbenzoyl)-4H-pyrazol-3-one
CID 1380485
4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 15787923
CID 88907622
CID 88907622
ethyl (2R)-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propanoate
CID 98124950
(4S)-4-(3,4-dimethoxybenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98196385

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide (CID 171982102) is 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide is CC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccc(N)cc1)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide?
The InChIKey is WAYWTFNGVZRMLS-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-15-21(24(32)30(29-15)20-8-3-2-4-9-20)22(17-6-5-7-18(25)14-17)27-28-23(31)16-10-12-19(26)13-11-16/h2-14,21H,26H2,1H3,(H,28,31)/b27-22+.
What are the key properties of 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide?
4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide has a molecular weight of 429.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide is sourced from PubChem (CID 171982102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).