N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C24H25N5O2 — CID 46857665

IUPACN-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)c1
InChIInChI=1S/C24H25N5O2/c1-15-5-6-17(3)20(9-15)21-11-22-24(31)28(26-14-29(22)27-21)13-23(30)25-12-19-8-7-16(2)18(4)10-19/h5-11,14H,12-13H2,1-4H3,(H,25,30)
InChIKeyCXLUTBZKPSJBOW-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.11
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 46857665) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID46857665
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)c1
InChIInChI=1S/C24H25N5O2/c1-15-5-6-17(3)20(9-15)21-11-22-24(31)28(26-14-29(22)27-21)13-23(30)25-12-19-8-7-16(2)18(4)10-19/h5-11,14H,12-13H2,1-4H3,(H,25,30)
InChIKeyCXLUTBZKPSJBOW-UHFFFAOYSA-N
XLogP3.11
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857576
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 46857622
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 46857671
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20953505
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-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71794666
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
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
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 46857665) is N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)c(C)c4)ncn3n2)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is CXLUTBZKPSJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-5-6-17(3)20(9-15)21-11-22-24(31)28(26-14-29(22)27-21)13-23(30)25-12-19-8-7-16(2)18(4)10-19/h5-11,14H,12-13H2,1-4H3,(H,25,30).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 46857665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).