1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole

C23H17ClN2O2 — CID 175851025

IUPAC1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cccc(Oc3cc(Cl)c4oc5ccccc5c4c3)c2)n1
InChIInChI=1S/C23H17ClN2O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,1-2H3
InChIKeyKXPVIMYUBYZEAB-UHFFFAOYSA-N
MW388.85 g/mol
LogP6.83
Rot. Bonds3

About 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole

1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole (PubChem CID 175851025) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole
PubChem CID175851025
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cccc(Oc3cc(Cl)c4oc5ccccc5c4c3)c2)n1
InChIInChI=1S/C23H17ClN2O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,1-2H3
InChIKeyKXPVIMYUBYZEAB-UHFFFAOYSA-N
XLogP6.83
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole (CID 175851025) is 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2cccc(Oc3cc(Cl)c4oc5ccccc5c4c3)c2)n1.
What is the InChIKey of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole?
The InChIKey is KXPVIMYUBYZEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-14-10-15(2)26(25-14)16-6-5-7-17(11-16)27-18-12-20-19-8-3-4-9-22(19)28-23(20)21(24)13-18/h3-13H,1-2H3.
What are the key properties of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole?
1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole has a molecular weight of 388.85 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 175851025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).