4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole

C17H16N2O3 — CID 117229524

IUPAC4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
SMILESCOc1ccc(Oc2cnn(-c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C17H16N2O3/c1-20-14-6-8-15(9-7-14)22-17-11-18-19(12-17)13-4-3-5-16(10-13)21-2/h3-12H,1-2H3
InChIKeyXGJBDABWGXOYOV-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.68
Rot. Bonds5

About 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole

4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole (PubChem CID 117229524) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
PubChem CID117229524
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
SMILESCOc1ccc(Oc2cnn(-c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C17H16N2O3/c1-20-14-6-8-15(9-7-14)22-17-11-18-19(12-17)13-4-3-5-16(10-13)21-2/h3-12H,1-2H3
InChIKeyXGJBDABWGXOYOV-UHFFFAOYSA-N
XLogP3.68
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenoxy)-1-(4-methoxyphenyl)pyrazole
CID 117229414
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
4-(3-chlorophenoxy)-1-(3-chlorophenyl)pyrazole
CID 117229383
4-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229517
4-(3-fluorophenoxy)-1-(3-methylphenyl)pyrazole
CID 117229378
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
CID 114798689
4-(1-phenylpyrazol-4-yl)oxyphenol
CID 117229486
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
3-[1-(3-fluorophenyl)pyrazol-4-yl]oxyphenol
CID 117229390
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole?
The IUPAC name of 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole (CID 117229524) is 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole is COc1ccc(Oc2cnn(-c3cccc(OC)c3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole?
The InChIKey is XGJBDABWGXOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-14-6-8-15(9-7-14)22-17-11-18-19(12-17)13-4-3-5-16(10-13)21-2/h3-12H,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole?
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole has a molecular weight of 296.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 117229524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).