[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol

C20H22N2O2 — CID 172677635

IUPAC[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
SMILESOCc1ccc2c(-c3cnn(CC4CCOCC4)c3)cccc2c1
InChIInChI=1S/C20H22N2O2/c23-14-16-4-5-20-17(10-16)2-1-3-19(20)18-11-21-22(13-18)12-15-6-8-24-9-7-15/h1-5,10-11,13,15,23H,6-9,12,14H2
InChIKeyCUSRWIROPGJLOA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.62
Rot. Bonds4

About [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol

[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol (PubChem CID 172677635) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
PubChem CID172677635
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
SMILESOCc1ccc2c(-c3cnn(CC4CCOCC4)c3)cccc2c1
InChIInChI=1S/C20H22N2O2/c23-14-16-4-5-20-17(10-16)2-1-3-19(20)18-11-21-22(13-18)12-15-6-8-24-9-7-15/h1-5,10-11,13,15,23H,6-9,12,14H2
InChIKeyCUSRWIROPGJLOA-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol?
The IUPAC name of [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol (CID 172677635) is [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol.
What is the SMILES notation for [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol?
The canonical SMILES for [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol is OCc1ccc2c(-c3cnn(CC4CCOCC4)c3)cccc2c1.
What is the InChIKey of [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol?
The InChIKey is CUSRWIROPGJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-14-16-4-5-20-17(10-16)2-1-3-19(20)18-11-21-22(13-18)12-15-6-8-24-9-7-15/h1-5,10-11,13,15,23H,6-9,12,14H2.
What are the key properties of [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol?
[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol has a molecular weight of 322.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol is sourced from PubChem (CID 172677635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).