N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

C21H19N5O2 — CID 56685662

IUPACN-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C21H19N5O2/c1-13-8-14(2)10-16(9-13)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyGSLJZSNOVOFMMQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.88
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (PubChem CID 56685662) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
PubChem CID56685662
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)c1
InChIInChI=1S/C21H19N5O2/c1-13-8-14(2)10-16(9-13)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyGSLJZSNOVOFMMQ-UHFFFAOYSA-N
XLogP2.88
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685675
N-(4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685832
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685835
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
CID 56685778
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771589
N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685863
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50771608
2-[[2-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771643
N-(3,4-dimethylphenyl)-2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771784
N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
2-(4-methylphenyl)-7-[(2-methylphenyl)methylsulfanyl]-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50786662
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (CID 56685662) is N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is Cc1cc(C)cc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4ccccc4)nn23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The InChIKey is GSLJZSNOVOFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-8-14(2)10-16(9-13)22-20(27)12-19-23-24-21(28)18-11-17(25-26(18)19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is sourced from PubChem (CID 56685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).