1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole

C20H14N4O2 — CID 140731113

IUPAC1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole
SMILESc1cc(Oc2cccc(-n3ncc4occc43)c2)cc(-n2cccn2)c1
InChIInChI=1S/C20H14N4O2/c1-4-15(23-10-3-9-21-23)12-17(6-1)26-18-7-2-5-16(13-18)24-19-8-11-25-20(19)14-22-24/h1-14H
InChIKeyIZXCOCBQEZFSQY-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.60
Rot. Bonds4

About 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole

1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole (PubChem CID 140731113) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole.

Molecular Properties

Compound Name1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole
PubChem CID140731113
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole
SMILESc1cc(Oc2cccc(-n3ncc4occc43)c2)cc(-n2cccn2)c1
InChIInChI=1S/C20H14N4O2/c1-4-15(23-10-3-9-21-23)12-17(6-1)26-18-7-2-5-16(13-18)24-19-8-11-25-20(19)14-22-24/h1-14H
InChIKeyIZXCOCBQEZFSQY-UHFFFAOYSA-N
XLogP4.60
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole?
The IUPAC name of 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole (CID 140731113) is 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole.
What is the SMILES notation for 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole?
The canonical SMILES for 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole is c1cc(Oc2cccc(-n3ncc4occc43)c2)cc(-n2cccn2)c1.
What is the InChIKey of 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole?
The InChIKey is IZXCOCBQEZFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-4-15(23-10-3-9-21-23)12-17(6-1)26-18-7-2-5-16(13-18)24-19-8-11-25-20(19)14-22-24/h1-14H.
What are the key properties of 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole?
1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole has a molecular weight of 342.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyrazol-1-ylphenoxy)phenyl]furo[2,3-d]pyrazole is sourced from PubChem (CID 140731113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).