N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H14F3N5O2 — CID 2396992

IUPACN-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H14F3N5O2/c1-10(24)20-12-4-2-11(3-5-12)8-19-21-14(25)9-23-7-6-13(22-23)15(16,17)18/h2-8H,9H2,1H3,(H,20,24)(H,21,25)
InChIKeyWNRALSYMLWLUKA-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.01
Rot. Bonds5

About N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2396992) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2396992
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H14F3N5O2/c1-10(24)20-12-4-2-11(3-5-12)8-19-21-14(25)9-23-7-6-13(22-23)15(16,17)18/h2-8H,9H2,1H3,(H,20,24)(H,21,25)
InChIKeyWNRALSYMLWLUKA-UHFFFAOYSA-N
XLogP2.01
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.01
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-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide 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

2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6902015
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2353634
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908230
N-[[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2092747
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6901798
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6904711
N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
CID 38107131
N-[(4-acetamidophenyl)methylideneamino]-2-hydroxyacetamide
CID 20982377
N-[(4-acetamidophenyl)methylideneamino]-2-(diethylamino)acetamide
CID 4221409
N-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2486600
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2396992) is N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=O)Nc1ccc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WNRALSYMLWLUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-10(24)20-12-4-2-11(3-5-12)8-19-21-14(25)9-23-7-6-13(22-23)15(16,17)18/h2-8H,9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2396992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).