N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C22H17ClF3N5O2 — CID 50926077

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)ncn3n2)cc1
InChIInChI=1S/C22H17ClF3N5O2/c1-2-13-3-5-14(6-4-13)17-10-19-21(33)30(27-12-31(19)29-17)11-20(32)28-18-9-15(22(24,25)26)7-8-16(18)23/h3-10,12H,2,11H2,1H3,(H,28,32)
InChIKeyXQAGMFRVFCVQQE-UHFFFAOYSA-N
MW475.86 g/mol
LogP4.43
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 50926077) has the molecular formula C22H17ClF3N5O2 and a molecular weight of 475.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID50926077
Molecular FormulaC22H17ClF3N5O2
Molecular Weight475.86 g/mol
Exact Mass475.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)ncn3n2)cc1
InChIInChI=1S/C22H17ClF3N5O2/c1-2-13-3-5-14(6-4-13)17-10-19-21(33)30(27-12-31(19)29-17)11-20(32)28-18-9-15(22(24,25)26)7-8-16(18)23/h3-10,12H,2,11H2,1H3,(H,28,32)
InChIKeyXQAGMFRVFCVQQE-UHFFFAOYSA-N
XLogP4.43
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926133
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 16956485
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857565
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
N-[2-(diethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953530
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
CID 53331090

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 50926077) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)ncn3n2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is XQAGMFRVFCVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2/c1-2-13-3-5-14(6-4-13)17-10-19-21(33)30(27-12-31(19)29-17)11-20(32)28-18-9-15(22(24,25)26)7-8-16(18)23/h3-10,12H,2,11H2,1H3,(H,28,32).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 475.86 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 50926077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).