[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone

C23H16N4O — CID 46837472

IUPAC[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(-c2cc3nnc(C(=O)c4ccc5ccccc5c4)cn3n2)cc1
InChIInChI=1S/C23H16N4O/c1-15-6-8-17(9-7-15)20-13-22-25-24-21(14-27(22)26-20)23(28)19-11-10-16-4-2-3-5-18(16)12-19/h2-14H,1H3
InChIKeyRDIHLYWYWBHBIV-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.48
Rot. Bonds3

About [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone

[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 46837472) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone
PubChem CID46837472
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(-c2cc3nnc(C(=O)c4ccc5ccccc5c4)cn3n2)cc1
InChIInChI=1S/C23H16N4O/c1-15-6-8-17(9-7-15)20-13-22-25-24-21(14-27(22)26-20)23(28)19-11-10-16-4-2-3-5-18(16)12-19/h2-14H,1H3
InChIKeyRDIHLYWYWBHBIV-UHFFFAOYSA-N
XLogP4.48
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone (CID 46837472) is [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone is Cc1ccc(-c2cc3nnc(C(=O)c4ccc5ccccc5c4)cn3n2)cc1.
What is the InChIKey of [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is RDIHLYWYWBHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c1-15-6-8-17(9-7-15)20-13-22-25-24-21(14-27(22)26-20)23(28)19-11-10-16-4-2-3-5-18(16)12-19/h2-14H,1H3.
What are the key properties of [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone?
[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 46837472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).