1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole

C21H13ClN2O2 — CID 175851026

IUPAC1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole
SMILESClc1cc(Oc2cccc(-n3cccn3)c2)cc2c1oc1ccccc12
InChIInChI=1S/C21H13ClN2O2/c22-19-13-16(12-18-17-7-1-2-8-20(17)26-21(18)19)25-15-6-3-5-14(11-15)24-10-4-9-23-24/h1-13H
InChIKeyWAEZPNXAIRAQQX-UHFFFAOYSA-N
MW360.80 g/mol
LogP6.22
Rot. Bonds3

About 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole

1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole (PubChem CID 175851026) has the molecular formula C21H13ClN2O2 and a molecular weight of 360.80 g/mol. Its IUPAC name is 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole.

Molecular Properties

Compound Name1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole
PubChem CID175851026
Molecular FormulaC21H13ClN2O2
Molecular Weight360.80 g/mol
Exact Mass360.07
IUPAC Name1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole
SMILESClc1cc(Oc2cccc(-n3cccn3)c2)cc2c1oc1ccccc12
InChIInChI=1S/C21H13ClN2O2/c22-19-13-16(12-18-17-7-1-2-8-20(17)26-21(18)19)25-15-6-3-5-14(11-15)24-10-4-9-23-24/h1-13H
InChIKeyWAEZPNXAIRAQQX-UHFFFAOYSA-N
XLogP6.22
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.80
LogP ≤ 56.22
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]pyrazole?
The IUPAC name of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole (CID 175851026) is 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole.
What is the SMILES notation for 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole?
The canonical SMILES for 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole is Clc1cc(Oc2cccc(-n3cccn3)c2)cc2c1oc1ccccc12.
What is the InChIKey of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole?
The InChIKey is WAEZPNXAIRAQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O2/c22-19-13-16(12-18-17-7-1-2-8-20(17)26-21(18)19)25-15-6-3-5-14(11-15)24-10-4-9-23-24/h1-13H.
What are the key properties of 1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole?
1-[3-(4-chlorodibenzofuran-2-yl)oxyphenyl]pyrazole has a molecular weight of 360.80 g/mol, XLogP of 6.22, 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]pyrazole is sourced from PubChem (CID 175851026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).