4-methoxy-1,3,5-triphenylpyrazole

C22H18N2O — CID 21489465

IUPAC4-methoxy-1,3,5-triphenylpyrazole
SMILESCOc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2O/c1-25-22-20(17-11-5-2-6-12-17)23-24(19-15-9-4-10-16-19)21(22)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyYBZVLYSIOALSCL-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.21
Rot. Bonds4

About 4-methoxy-1,3,5-triphenylpyrazole

4-methoxy-1,3,5-triphenylpyrazole (PubChem CID 21489465) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methoxy-1,3,5-triphenylpyrazole.

Molecular Properties

Compound Name4-methoxy-1,3,5-triphenylpyrazole
PubChem CID21489465
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-methoxy-1,3,5-triphenylpyrazole
SMILESCOc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2O/c1-25-22-20(17-11-5-2-6-12-17)23-24(19-15-9-4-10-16-19)21(22)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyYBZVLYSIOALSCL-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3,5-triphenylpyrazole?
The IUPAC name of 4-methoxy-1,3,5-triphenylpyrazole (CID 21489465) is 4-methoxy-1,3,5-triphenylpyrazole.
What is the SMILES notation for 4-methoxy-1,3,5-triphenylpyrazole?
The canonical SMILES for 4-methoxy-1,3,5-triphenylpyrazole is COc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-1,3,5-triphenylpyrazole?
The InChIKey is YBZVLYSIOALSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-22-20(17-11-5-2-6-12-17)23-24(19-15-9-4-10-16-19)21(22)18-13-7-3-8-14-18/h2-16H,1H3.
What are the key properties of 4-methoxy-1,3,5-triphenylpyrazole?
4-methoxy-1,3,5-triphenylpyrazole has a molecular weight of 326.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3,5-triphenylpyrazole is sourced from PubChem (CID 21489465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).