3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

C13H11FN2S — CID 54525881

IUPAC3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFc1ccc(C2CC(c3cccs3)N=N2)cc1
InChIInChI=1S/C13H11FN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,11-12H,8H2
InChIKeyYTBPTNFFFYROJT-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.53
Rot. Bonds2

About 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (PubChem CID 54525881) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
PubChem CID54525881
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFc1ccc(C2CC(c3cccs3)N=N2)cc1
InChIInChI=1S/C13H11FN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,11-12H,8H2
InChIKeyYTBPTNFFFYROJT-UHFFFAOYSA-N
XLogP4.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (CID 54525881) is 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is Fc1ccc(C2CC(c3cccs3)N=N2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The InChIKey is YTBPTNFFFYROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,11-12H,8H2.
What are the key properties of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole has a molecular weight of 246.31 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 54525881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).