4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole

C25H23FN2O2 — CID 74767582

IUPAC4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(OC)c2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2O2/c1-29-22-15-11-19(12-16-22)24-23(17-10-18-8-13-20(26)14-9-18)25(30-2)28(27-24)21-6-4-3-5-7-21/h3-9,11-16H,10,17H2,1-2H3
InChIKeyUGSILJFKGYZRQI-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.48
Rot. Bonds7

About 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole

4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 74767582) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID74767582
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)c(OC)c2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C25H23FN2O2/c1-29-22-15-11-19(12-16-22)24-23(17-10-18-8-13-20(26)14-9-18)25(30-2)28(27-24)21-6-4-3-5-7-21/h3-9,11-16H,10,17H2,1-2H3
InChIKeyUGSILJFKGYZRQI-UHFFFAOYSA-N
XLogP5.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole (CID 74767582) is 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole is COc1ccc(-c2nn(-c3ccccc3)c(OC)c2CCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is UGSILJFKGYZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-29-22-15-11-19(12-16-22)24-23(17-10-18-8-13-20(26)14-9-18)25(30-2)28(27-24)21-6-4-3-5-7-21/h3-9,11-16H,10,17H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole?
4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 402.47 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 74767582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).