2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide

C24H25N5O2 — CID 22513326

IUPAC2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)nc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-4-18-9-11-20(12-10-18)21-13-22-24(31)28(26-17(3)29(22)27-21)15-23(30)25-14-19-7-5-16(2)6-8-19/h5-13H,4,14-15H2,1-3H3,(H,25,30)
InChIKeyQVHDHELLAJOMIH-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.05
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 22513326) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID22513326
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)nc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-4-18-9-11-20(12-10-18)21-13-22-24(31)28(26-17(3)29(22)27-21)15-23(30)25-14-19-7-5-16(2)6-8-19/h5-13H,4,14-15H2,1-3H3,(H,25,30)
InChIKeyQVHDHELLAJOMIH-UHFFFAOYSA-N
XLogP3.05
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953669
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 92678847
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619
2-(4-ethylphenyl)-7-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513303
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 129418396
N-[(2-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953660
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 20884249
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
CID 20953634
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953754
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 22513326) is 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide is CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)nc(C)n3n2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is QVHDHELLAJOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-4-18-9-11-20(12-10-18)21-13-22-24(31)28(26-17(3)29(22)27-21)15-23(30)25-14-19-7-5-16(2)6-8-19/h5-13H,4,14-15H2,1-3H3,(H,25,30).
What are the key properties of 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 22513326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).