1-(4-phenoxyphenyl)pyrazole

C15H12N2O — CID 18326720

IUPAC1-(4-phenoxyphenyl)pyrazole
SMILESc1ccc(Oc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C15H12N2O/c1-2-5-14(6-3-1)18-15-9-7-13(8-10-15)17-12-4-11-16-17/h1-12H
InChIKeyGGEJGYBBOKBOHS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-phenoxyphenyl)pyrazole

1-(4-phenoxyphenyl)pyrazole (PubChem CID 18326720) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)pyrazole
PubChem CID18326720
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(4-phenoxyphenyl)pyrazole
SMILESc1ccc(Oc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C15H12N2O/c1-2-5-14(6-3-1)18-15-9-7-13(8-10-15)17-12-4-11-16-17/h1-12H
InChIKeyGGEJGYBBOKBOHS-UHFFFAOYSA-N
XLogP3.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)pyrazole?
The IUPAC name of 1-(4-phenoxyphenyl)pyrazole (CID 18326720) is 1-(4-phenoxyphenyl)pyrazole.
What is the SMILES notation for 1-(4-phenoxyphenyl)pyrazole?
The canonical SMILES for 1-(4-phenoxyphenyl)pyrazole is c1ccc(Oc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)pyrazole?
The InChIKey is GGEJGYBBOKBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-5-14(6-3-1)18-15-9-7-13(8-10-15)17-12-4-11-16-17/h1-12H.
What are the key properties of 1-(4-phenoxyphenyl)pyrazole?
1-(4-phenoxyphenyl)pyrazole has a molecular weight of 236.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)pyrazole is sourced from PubChem (CID 18326720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).