2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide

C18H12ClF3N4O3 — CID 124578350

IUPAC2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide
SMILESNC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N4O3/c19-12-7-6-9(8-11(12)18(20,21)22)24-16(28)14(27)13-15(23)25-26(17(13)29)10-4-2-1-3-5-10/h1-8,13H,(H2,23,25)(H,24,28)/t13-/m1/s1
InChIKeyNAATVHYNAYMOPR-CYBMUJFWSA-N
MW424.77 g/mol
LogP2.80
Rot. Bonds4

About 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide

2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide (PubChem CID 124578350) has the molecular formula C18H12ClF3N4O3 and a molecular weight of 424.77 g/mol. Its IUPAC name is 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide
PubChem CID124578350
Molecular FormulaC18H12ClF3N4O3
Molecular Weight424.77 g/mol
Exact Mass424.06
IUPAC Name2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide
SMILESNC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N4O3/c19-12-7-6-9(8-11(12)18(20,21)22)24-16(28)14(27)13-15(23)25-26(17(13)29)10-4-2-1-3-5-10/h1-8,13H,(H2,23,25)(H,24,28)/t13-/m1/s1
InChIKeyNAATVHYNAYMOPR-CYBMUJFWSA-N
XLogP2.80
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide 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-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-phenylacetamide
CID 124527770
2-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124632165
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
CID 108515817
2-(3-amino-1,2,4-triazol-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 61016205
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 4072285
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 124715870
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 92543652
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 31760548
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide (CID 124578350) is 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide is NC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
The InChIKey is NAATVHYNAYMOPR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H12ClF3N4O3/c19-12-7-6-9(8-11(12)18(20,21)22)24-16(28)14(27)13-15(23)25-26(17(13)29)10-4-2-1-3-5-10/h1-8,13H,(H2,23,25)(H,24,28)/t13-/m1/s1.
What are the key properties of 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide?
2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide has a molecular weight of 424.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 124578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).