naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone

C17H16N2O — CID 63976981

IUPACnaphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O/c1-2-11-19-16(9-10-18-19)17(20)15-8-7-13-5-3-4-6-14(13)12-15/h3-10,12H,2,11H2,1H3
InChIKeyYEYCJAYVYOYTAM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.68
Rot. Bonds4

About naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone

naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone (PubChem CID 63976981) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
PubChem CID63976981
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Namenaphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O/c1-2-11-19-16(9-10-18-19)17(20)15-8-7-13-5-3-4-6-14(13)12-15/h3-10,12H,2,11H2,1H3
InChIKeyYEYCJAYVYOYTAM-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone 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 naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone (CID 63976981) is naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone?
The InChIKey is YEYCJAYVYOYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-11-19-16(9-10-18-19)17(20)15-8-7-13-5-3-4-6-14(13)12-15/h3-10,12H,2,11H2,1H3.
What are the key properties of naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone?
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 63976981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).