2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol

C18H18N2O — CID 10516732

IUPAC2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1CCO
InChIInChI=1S/C18H18N2O/c1-14-17(12-13-21)18(15-8-4-2-5-9-15)20(19-14)16-10-6-3-7-11-16/h2-11,21H,12-13H2,1H3
InChIKeyFWOZARZEVCUIMA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol

2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol (PubChem CID 10516732) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol
PubChem CID10516732
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol
SMILESCc1nn(-c2ccccc2)c(-c2ccccc2)c1CCO
InChIInChI=1S/C18H18N2O/c1-14-17(12-13-21)18(15-8-4-2-5-9-15)20(19-14)16-10-6-3-7-11-16/h2-11,21H,12-13H2,1H3
InChIKeyFWOZARZEVCUIMA-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol (CID 10516732) is 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol is Cc1nn(-c2ccccc2)c(-c2ccccc2)c1CCO.
What is the InChIKey of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol?
The InChIKey is FWOZARZEVCUIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-17(12-13-21)18(15-8-4-2-5-9-15)20(19-14)16-10-6-3-7-11-16/h2-11,21H,12-13H2,1H3.
What are the key properties of 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol?
2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol has a molecular weight of 278.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,5-diphenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 10516732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).