2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

C20H17FN2OS — CID 5092288

IUPAC2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2cccs2)=NN1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3
InChIKeyWZWACNNZODLADL-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.25
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 5092288) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID5092288
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2cccs2)=NN1c1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3
InChIKeyWZWACNNZODLADL-UHFFFAOYSA-N
XLogP5.25
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 5092288) is 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is COc1ccccc1C1CC(c2cccs2)=NN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is WZWACNNZODLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-24-19-6-3-2-5-16(19)18-13-17(20-7-4-12-25-20)22-23(18)15-10-8-14(21)9-11-15/h2-12,18H,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 352.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 5092288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).