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

C18H18N2O2 — CID 21398049

IUPAC2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
SMILESCn1nc(-c2ccccc2)c(OCCO)c1-c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20-17(15-10-6-3-7-11-15)18(22-13-12-21)16(19-20)14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3
InChIKeyIJEUECPYNRXTQZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.13
Rot. Bonds5

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

2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol (PubChem CID 21398049) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
PubChem CID21398049
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol
SMILESCn1nc(-c2ccccc2)c(OCCO)c1-c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20-17(15-10-6-3-7-11-15)18(22-13-12-21)16(19-20)14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3
InChIKeyIJEUECPYNRXTQZ-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol?
The IUPAC name of 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol (CID 21398049) is 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol.
What is the SMILES notation for 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol?
The canonical SMILES for 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol is Cn1nc(-c2ccccc2)c(OCCO)c1-c1ccccc1.
What is the InChIKey of 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol?
The InChIKey is IJEUECPYNRXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-17(15-10-6-3-7-11-15)18(22-13-12-21)16(19-20)14-8-4-2-5-9-14/h2-11,21H,12-13H2,1H3.
What are the key properties of 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol?
2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol has a molecular weight of 294.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-diphenylpyrazol-4-yl)oxyethanol is sourced from PubChem (CID 21398049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).