7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C15H16N2O2 — CID 114090592

IUPAC7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCn1ccc(COc2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C15H16N2O2/c1-17-8-7-12(16-17)10-19-13-6-5-11-3-2-4-15(18)14(11)9-13/h5-9H,2-4,10H2,1H3
InChIKeyVOEFDNHRHLHWCJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.52
Rot. Bonds3

About 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 114090592) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID114090592
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCn1ccc(COc2ccc3c(c2)C(=O)CCC3)n1
InChIInChI=1S/C15H16N2O2/c1-17-8-7-12(16-17)10-19-13-6-5-11-3-2-4-15(18)14(11)9-13/h5-9H,2-4,10H2,1H3
InChIKeyVOEFDNHRHLHWCJ-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 114090592) is 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is Cn1ccc(COc2ccc3c(c2)C(=O)CCC3)n1.
What is the InChIKey of 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VOEFDNHRHLHWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-8-7-12(16-17)10-19-13-6-5-11-3-2-4-15(18)14(11)9-13/h5-9H,2-4,10H2,1H3.
What are the key properties of 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 114090592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).