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

C13H10F2N2S — CID 18175459

IUPAC5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2)cc1F
InChIInChI=1S/C13H10F2N2S/c14-9-4-3-8(6-10(9)15)11-7-12(17-16-11)13-2-1-5-18-13/h1-6,11,16H,7H2
InChIKeyITKFNUJUQJSFTQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.46
Rot. Bonds2

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

5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175459) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175459
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2CC(c3cccs3)=NN2)cc1F
InChIInChI=1S/C13H10F2N2S/c14-9-4-3-8(6-10(9)15)11-7-12(17-16-11)13-2-1-5-18-13/h1-6,11,16H,7H2
InChIKeyITKFNUJUQJSFTQ-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175459) is 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is Fc1ccc(C2CC(c3cccs3)=NN2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is ITKFNUJUQJSFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-9-4-3-8(6-10(9)15)11-7-12(17-16-11)13-2-1-5-18-13/h1-6,11,16H,7H2.
What are the key properties of 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 264.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).