3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C13H11FN2S — CID 18175451

IUPAC3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFc1ccccc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-7,12,16H,8H2
InChIKeyOTTVXCPLQYAAIP-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.33
Rot. Bonds2

About 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175451) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175451
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFc1ccccc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-7,12,16H,8H2
InChIKeyOTTVXCPLQYAAIP-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175451) is 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is Fc1ccccc1C1=NNC(c2cccs2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is OTTVXCPLQYAAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-7,12,16H,8H2.
What are the key properties of 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 246.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).