7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one

C15H16N2O — CID 172877621

IUPAC7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCn1cc(-c2ccc3c(c2)C(=O)CCC3)cn1
InChIInChI=1S/C15H16N2O/c1-2-17-10-13(9-16-17)12-7-6-11-4-3-5-15(18)14(11)8-12/h6-10H,2-5H2,1H3
InChIKeyXVAXVFYKNLOELK-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.09
Rot. Bonds2

About 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one

7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 172877621) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID172877621
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCn1cc(-c2ccc3c(c2)C(=O)CCC3)cn1
InChIInChI=1S/C15H16N2O/c1-2-17-10-13(9-16-17)12-7-6-11-4-3-5-15(18)14(11)8-12/h6-10H,2-5H2,1H3
InChIKeyXVAXVFYKNLOELK-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 172877621) is 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one is CCn1cc(-c2ccc3c(c2)C(=O)CCC3)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XVAXVFYKNLOELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-17-10-13(9-16-17)12-7-6-11-4-3-5-15(18)14(11)8-12/h6-10H,2-5H2,1H3.
What are the key properties of 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one?
7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 240.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 172877621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).