2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide

C23H23N5O2 — CID 20953634

IUPAC2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H23N5O2/c1-16(18-9-5-3-6-10-18)14-24-22(29)15-27-23(30)21-13-20(19-11-7-4-8-12-19)26-28(21)17(2)25-27/h3-13,16H,14-15H2,1-2H3,(H,24,29)
InChIKeyUPVQBEVCZBXAFZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.79
Rot. Bonds6

About 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 20953634) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
PubChem CID20953634
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc(-c3ccccc3)nn12
InChIInChI=1S/C23H23N5O2/c1-16(18-9-5-3-6-10-18)14-24-22(29)15-27-23(30)21-13-20(19-11-7-4-8-12-19)26-28(21)17(2)25-27/h3-13,16H,14-15H2,1-2H3,(H,24,29)
InChIKeyUPVQBEVCZBXAFZ-UHFFFAOYSA-N
XLogP2.79
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
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-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide
CID 20893452
N-[(2-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953660
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953606
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-phenylpropyl)acetamide
CID 18202883
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22513326
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953754
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide (CID 20953634) is 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)c2ccccc2)c(=O)c2cc(-c3ccccc3)nn12.
What is the InChIKey of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is UPVQBEVCZBXAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(18-9-5-3-6-10-18)14-24-22(29)15-27-23(30)21-13-20(19-11-7-4-8-12-19)26-28(21)17(2)25-27/h3-13,16H,14-15H2,1-2H3,(H,24,29).
What are the key properties of 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide?
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 20953634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).