5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C16H20N2O2 — CID 65454842

IUPAC5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCn1cc(COc2cccc3c2CCCC3O)cn1
InChIInChI=1S/C16H20N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3
InChIKeyQSARERWTQKRXKD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds4

About 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 65454842) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID65454842
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCn1cc(COc2cccc3c2CCCC3O)cn1
InChIInChI=1S/C16H20N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3
InChIKeyQSARERWTQKRXKD-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 65454842) is 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is CCn1cc(COc2cccc3c2CCCC3O)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QSARERWTQKRXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18-10-12(9-17-18)11-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3.
What are the key properties of 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 65454842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).