4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole

C14H11FN2S — CID 53493812

IUPAC4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2cccs2)c1F
InChIInChI=1S/C14H11FN2S/c1-10-13(15)14(12-8-5-9-18-12)17(16-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyZFCNCUSXLUQCEY-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.05
Rot. Bonds2

About 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole

4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole (PubChem CID 53493812) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
PubChem CID53493812
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCc1nn(-c2ccccc2)c(-c2cccs2)c1F
InChIInChI=1S/C14H11FN2S/c1-10-13(15)14(12-8-5-9-18-12)17(16-10)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyZFCNCUSXLUQCEY-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(5-Methylthiophen-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315630
4-(5-Thiophen-2-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 2799866
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
Methyl 4-phenyldiazenyl-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339361
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
4-[5-Thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727429
4-[5-Thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727534
1-[(2-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177650909
1-[(3-Fluorophenyl)methyl]-5-phenyl-3-thiophen-2-ylpyrazole
CID 177651141
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
3,5-dimethyl-1-phenyl-4-(phenylthio)-1H-pyrazole
CID 701728

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole (CID 53493812) is 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole is Cc1nn(-c2ccccc2)c(-c2cccs2)c1F.
What is the InChIKey of 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The InChIKey is ZFCNCUSXLUQCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-10-13(15)14(12-8-5-9-18-12)17(16-10)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole has a molecular weight of 258.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 53493812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).