5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H20N2O2 — CID 65454446

IUPAC5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)n1ccc(COc2cccc3c2CCCC3=O)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-10-9-13(18-19)11-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-10,12H,3,6-7,11H2,1-2H3
InChIKeyPIHSUQDVZRKTOO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds4

About 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65454446) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65454446
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)n1ccc(COc2cccc3c2CCCC3=O)n1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-10-9-13(18-19)11-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-10,12H,3,6-7,11H2,1-2H3
InChIKeyPIHSUQDVZRKTOO-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
2-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzonitrile
CID 167914860
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 123450059
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
5-[2-(1-methylimidazol-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114527965
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
2-[(1-propan-2-ylpyrazol-3-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208701
5-(1-methoxypropan-2-yloxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455007
5-(3-methylsulfanylpropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 115651095
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65454446) is 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is CC(C)n1ccc(COc2cccc3c2CCCC3=O)n1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PIHSUQDVZRKTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19-10-9-13(18-19)11-21-17-8-4-5-14-15(17)6-3-7-16(14)20/h4-5,8-10,12H,3,6-7,11H2,1-2H3.
What are the key properties of 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65454446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).