5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C18H17FN2O3 — CID 11393297

IUPAC5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C18H17FN2O3/c1-22-16-8-12(9-17(23-2)18(16)24-3)15-10-14(20-21-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3,(H,20,21)
InChIKeyHQLJZRUDHDHKCR-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.91
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole

5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 11393297) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID11393297
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C18H17FN2O3/c1-22-16-8-12(9-17(23-2)18(16)24-3)15-10-14(20-21-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3,(H,20,21)
InChIKeyHQLJZRUDHDHKCR-UHFFFAOYSA-N
XLogP3.91
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 11393297) is 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1cc(-c2cc(-c3ccc(F)cc3)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is HQLJZRUDHDHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-22-16-8-12(9-17(23-2)18(16)24-3)15-10-14(20-21-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 328.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 11393297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).