1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole

C19H20N2O3 — CID 166333732

IUPAC1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
SMILESCOCCn1cc(-c2ccc(Oc3ccc(OC)cc3)cc2)cn1
InChIInChI=1S/C19H20N2O3/c1-22-12-11-21-14-16(13-20-21)15-3-5-18(6-4-15)24-19-9-7-17(23-2)8-10-19/h3-10,13-14H,11-12H2,1-2H3
InChIKeyLVTQSCAEQBZRQK-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds7

About 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole

1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole (PubChem CID 166333732) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
PubChem CID166333732
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
SMILESCOCCn1cc(-c2ccc(Oc3ccc(OC)cc3)cc2)cn1
InChIInChI=1S/C19H20N2O3/c1-22-12-11-21-14-16(13-20-21)15-3-5-18(6-4-15)24-19-9-7-17(23-2)8-10-19/h3-10,13-14H,11-12H2,1-2H3
InChIKeyLVTQSCAEQBZRQK-UHFFFAOYSA-N
XLogP4.00
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole (CID 166333732) is 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole is COCCn1cc(-c2ccc(Oc3ccc(OC)cc3)cc2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole?
The InChIKey is LVTQSCAEQBZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-22-12-11-21-14-16(13-20-21)15-3-5-18(6-4-15)24-19-9-7-17(23-2)8-10-19/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole?
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole has a molecular weight of 324.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole is sourced from PubChem (CID 166333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).