2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone

C17H16N2O — CID 90677359

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
SMILESCc1cc(C)n(CC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O/c1-12-9-13(2)19(18-12)11-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyBBTFDBGLUNAOTB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone

2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone (PubChem CID 90677359) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
PubChem CID90677359
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
SMILESCc1cc(C)n(CC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O/c1-12-9-13(2)19(18-12)11-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyBBTFDBGLUNAOTB-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone (CID 90677359) is 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone is Cc1cc(C)n(CC(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone?
The InChIKey is BBTFDBGLUNAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-9-13(2)19(18-12)11-17(20)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone has a molecular weight of 264.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 90677359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).