2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone

C15H10F2N2OS — CID 2741927

IUPAC2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)n1nccc1-c1cccs1
InChIInChI=1S/C15H10F2N2OS/c16-11-6-10(7-12(17)9-11)8-15(20)19-13(3-4-18-19)14-2-1-5-21-14/h1-7,9H,8H2
InChIKeyNWZQAKPCBOJJMA-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.77
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone

2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone (PubChem CID 2741927) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone
PubChem CID2741927
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC Name2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)n1nccc1-c1cccs1
InChIInChI=1S/C15H10F2N2OS/c16-11-6-10(7-12(17)9-11)8-15(20)19-13(3-4-18-19)14-2-1-5-21-14/h1-7,9H,8H2
InChIKeyNWZQAKPCBOJJMA-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
1-(4,5,6,7-tetrahydro-1-benzothien-2-ylcarbonyl)-1H-pyrazole
CID 1246517
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 6286694
(4-Fluorophenyl)-[5-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 2744262
[5-(3-Methyl-1-benzothiophen-2-yl)pyrazol-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 2824204
[3-[5-(2-Phenylethynyl)thiophen-2-yl]pyrazol-1-yl]-thiophen-2-ylmethanone
CID 2822160

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone (CID 2741927) is 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone is O=C(Cc1cc(F)cc(F)c1)n1nccc1-c1cccs1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone?
The InChIKey is NWZQAKPCBOJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-11-6-10(7-12(17)9-11)8-15(20)19-13(3-4-18-19)14-2-1-5-21-14/h1-7,9H,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone?
2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone has a molecular weight of 304.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(5-thiophen-2-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 2741927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).