N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide

C15H14ClFN6O2 — CID 156527748

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1cc(-n2cnn(CC(=O)NCc3ccc(Cl)c(F)c3)c2=O)cn1
InChIInChI=1S/C15H14ClFN6O2/c1-21-7-11(6-19-21)22-9-20-23(15(22)25)8-14(24)18-5-10-2-3-12(16)13(17)4-10/h2-4,6-7,9H,5,8H2,1H3,(H,18,24)
InChIKeyLSZWCZUVTICELP-UHFFFAOYSA-N
MW364.77 g/mol
LogP0.88
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide

N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide (PubChem CID 156527748) has the molecular formula C15H14ClFN6O2 and a molecular weight of 364.77 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide
PubChem CID156527748
Molecular FormulaC15H14ClFN6O2
Molecular Weight364.77 g/mol
Exact Mass364.09
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1cc(-n2cnn(CC(=O)NCc3ccc(Cl)c(F)c3)c2=O)cn1
InChIInChI=1S/C15H14ClFN6O2/c1-21-7-11(6-19-21)22-9-20-23(15(22)25)8-14(24)18-5-10-2-3-12(16)13(17)4-10/h2-4,6-7,9H,5,8H2,1H3,(H,18,24)
InChIKeyLSZWCZUVTICELP-UHFFFAOYSA-N
XLogP0.88
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798088
N-[(4-chloro-3-fluorophenyl)methyl]-2-(3-cyclopropyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798078
N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156798054
N-[(4-chloro-3-fluorophenyl)methyl]-2-[5-oxo-4-[(3R)-oxolan-3-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798109
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(5-chloro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156528178
1-[(3-chloro-4-fluorophenyl)methyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416450
5-(4-chloro-3-fluorophenyl)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
CID 146308551
N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857585
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
CID 156797994
N-[(3-chloro-4-fluorophenyl)methyl]-2-[7-(4-methylanilino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamide
CID 53201518
N-[(4-chloro-3-methylphenyl)methyl]-2-[4-cyclopropyl-5-oxo-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798114

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide (CID 156527748) is N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide is Cn1cc(-n2cnn(CC(=O)NCc3ccc(Cl)c(F)c3)c2=O)cn1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The InChIKey is LSZWCZUVTICELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6O2/c1-21-7-11(6-19-21)22-9-20-23(15(22)25)8-14(24)18-5-10-2-3-12(16)13(17)4-10/h2-4,6-7,9H,5,8H2,1H3,(H,18,24).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide has a molecular weight of 364.77 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 156527748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).