[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol

C17H16N2O2 — CID 110006014

IUPAC[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H16N2O2/c20-12-14-2-4-15(5-3-14)13-21-17-8-6-16(7-9-17)19-11-1-10-18-19/h1-11,20H,12-13H2
InChIKeyVJRQZDJRSGDZBX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.94
Rot. Bonds5

About [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol

[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol (PubChem CID 110006014) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
PubChem CID110006014
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C17H16N2O2/c20-12-14-2-4-15(5-3-14)13-21-17-8-6-16(7-9-17)19-11-1-10-18-19/h1-11,20H,12-13H2
InChIKeyVJRQZDJRSGDZBX-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol?
The IUPAC name of [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol (CID 110006014) is [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol?
The canonical SMILES for [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol is OCc1ccc(COc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol?
The InChIKey is VJRQZDJRSGDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-12-14-2-4-15(5-3-14)13-21-17-8-6-16(7-9-17)19-11-1-10-18-19/h1-11,20H,12-13H2.
What are the key properties of [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol?
[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol has a molecular weight of 280.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 110006014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).