N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C23H22ClN5O3 — CID 29281740

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)ncn3n2)cc1
InChIInChI=1S/C23H22ClN5O3/c1-2-32-19-9-5-17(6-10-19)20-13-21-23(31)28(26-15-29(21)27-20)14-22(30)25-12-11-16-3-7-18(24)8-4-16/h3-10,13,15H,2,11-12,14H2,1H3,(H,25,30)
InChIKeyWGVONJMSQGCRHN-UHFFFAOYSA-N
MW451.91 g/mol
LogP2.97
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 29281740) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID29281740
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)ncn3n2)cc1
InChIInChI=1S/C23H22ClN5O3/c1-2-32-19-9-5-17(6-10-19)20-13-21-23(31)28(26-15-29(21)27-20)14-22(30)25-12-11-16-3-7-18(24)8-4-16/h3-10,13,15H,2,11-12,14H2,1H3,(H,25,30)
InChIKeyWGVONJMSQGCRHN-UHFFFAOYSA-N
XLogP2.97
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857585
N-[(3,4-dimethylphenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857576
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281643
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-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
N-[2-(4-chlorophenyl)ethyl]-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513260
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[2-(diethylamino)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953571
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-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 29281740) is N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(Cl)cc4)ncn3n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is WGVONJMSQGCRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-2-32-19-9-5-17(6-10-19)20-13-21-23(31)28(26-15-29(21)27-20)14-22(30)25-12-11-16-3-7-18(24)8-4-16/h3-10,13,15H,2,11-12,14H2,1H3,(H,25,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 451.91 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 29281740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).