5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole

C20H20N2O2 — CID 23656797

IUPAC5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
SMILESc1ccc(Oc2ccc(-c3cc(C4CCOCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(22-21-19)16-10-12-23-13-11-16/h1-9,14,16H,10-13H2,(H,21,22)
InChIKeyWOXGYLMTLBWAOJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.76
Rot. Bonds4

About 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole

5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole (PubChem CID 23656797) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
PubChem CID23656797
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole
SMILESc1ccc(Oc2ccc(-c3cc(C4CCOCC4)[nH]n3)cc2)cc1
InChIInChI=1S/C20H20N2O2/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(22-21-19)16-10-12-23-13-11-16/h1-9,14,16H,10-13H2,(H,21,22)
InChIKeyWOXGYLMTLBWAOJ-UHFFFAOYSA-N
XLogP4.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole (CID 23656797) is 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole is c1ccc(Oc2ccc(-c3cc(C4CCOCC4)[nH]n3)cc2)cc1.
What is the InChIKey of 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole?
The InChIKey is WOXGYLMTLBWAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-4-17(5-3-1)24-18-8-6-15(7-9-18)19-14-20(22-21-19)16-10-12-23-13-11-16/h1-9,14,16H,10-13H2,(H,21,22).
What are the key properties of 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole?
5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole has a molecular weight of 320.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-(4-phenoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 23656797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).