3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol

C16H16N2O2 — CID 62125688

IUPAC3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
SMILESCCn1cc(COc2cc3ccccc3cc2O)cn1
InChIInChI=1S/C16H16N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-14-6-4-3-5-13(14)7-15(16)19/h3-10,19H,2,11H2,1H3
InChIKeyNCTDJXOFMRHQLC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.34
Rot. Bonds4

About 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol

3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol (PubChem CID 62125688) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
PubChem CID62125688
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
SMILESCCn1cc(COc2cc3ccccc3cc2O)cn1
InChIInChI=1S/C16H16N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-14-6-4-3-5-13(14)7-15(16)19/h3-10,19H,2,11H2,1H3
InChIKeyNCTDJXOFMRHQLC-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
4-[(5-bromo-2-methylphenoxy)methyl]-1-ethylpyrazole
CID 107283989

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol (CID 62125688) is 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol is CCn1cc(COc2cc3ccccc3cc2O)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol?
The InChIKey is NCTDJXOFMRHQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-14-6-4-3-5-13(14)7-15(16)19/h3-10,19H,2,11H2,1H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol?
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol has a molecular weight of 268.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol is sourced from PubChem (CID 62125688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).