5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole

C19H20N2O3 — CID 70868271

IUPAC5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
SMILESCOc1ccc(Oc2ccc(Oc3c(C)c(C)nn3C)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-14(2)20-21(3)19(13)24-18-11-9-17(10-12-18)23-16-7-5-15(22-4)6-8-16/h5-12H,1-4H3
InChIKeyVFUALZSIVQDIHJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.63
Rot. Bonds5

About 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole

5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole (PubChem CID 70868271) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
PubChem CID70868271
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
SMILESCOc1ccc(Oc2ccc(Oc3c(C)c(C)nn3C)cc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-14(2)20-21(3)19(13)24-18-11-9-17(10-12-18)23-16-7-5-15(22-4)6-8-16/h5-12H,1-4H3
InChIKeyVFUALZSIVQDIHJ-UHFFFAOYSA-N
XLogP4.63
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole?
The IUPAC name of 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole (CID 70868271) is 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole is COc1ccc(Oc2ccc(Oc3c(C)c(C)nn3C)cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole?
The InChIKey is VFUALZSIVQDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-14(2)20-21(3)19(13)24-18-11-9-17(10-12-18)23-16-7-5-15(22-4)6-8-16/h5-12H,1-4H3.
What are the key properties of 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole?
5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole has a molecular weight of 324.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole is sourced from PubChem (CID 70868271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).