[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol

C17H14Cl2N2O2 — CID 170608510

IUPAC[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)21-9-12(10-22)8-20-21/h1-9,22H,10-11H2
InChIKeyCLCKOBFXMCGERL-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.25
Rot. Bonds5

About [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol

[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol (PubChem CID 170608510) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
PubChem CID170608510
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C17H14Cl2N2O2/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)21-9-12(10-22)8-20-21/h1-9,22H,10-11H2
InChIKeyCLCKOBFXMCGERL-UHFFFAOYSA-N
XLogP4.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol (CID 170608510) is [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1.
What is the InChIKey of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol?
The InChIKey is CLCKOBFXMCGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-16-2-1-3-17(19)15(16)11-23-14-6-4-13(5-7-14)21-9-12(10-22)8-20-21/h1-9,22H,10-11H2.
What are the key properties of [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol?
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol has a molecular weight of 349.22 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 170608510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).