2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide

C20H19N5O3 — CID 50926057

IUPAC2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ncn3n2)cc1
InChIInChI=1S/C20H19N5O3/c1-2-14-5-7-15(8-6-14)17-10-18-20(27)24(22-13-25(18)23-17)12-19(26)21-11-16-4-3-9-28-16/h3-10,13H,2,11-12H2,1H3,(H,21,26)
InChIKeySBMLWYXGHXRLIY-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 50926057) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID50926057
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ncn3n2)cc1
InChIInChI=1S/C20H19N5O3/c1-2-14-5-7-15(8-6-14)17-10-18-20(27)24(22-13-25(18)23-17)12-19(26)21-11-16-4-3-9-28-16/h3-10,13H,2,11-12H2,1H3,(H,21,26)
InChIKeySBMLWYXGHXRLIY-UHFFFAOYSA-N
XLogP2.03
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20953511
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
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956925
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
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-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20953505
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 50926057) is 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide is CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ncn3n2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SBMLWYXGHXRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-14-5-7-15(8-6-14)17-10-18-20(27)24(22-13-25(18)23-17)12-19(26)21-11-16-4-3-9-28-16/h3-10,13H,2,11-12H2,1H3,(H,21,26).
What are the key properties of 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 50926057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).