3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole

C14H17FN2S — CID 54248420

IUPAC3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole
SMILESCSc1c(C)c(-c2cc(C)c(C)cc2F)nn1C
InChIInChI=1S/C14H17FN2S/c1-8-6-11(12(15)7-9(8)2)13-10(3)14(18-5)17(4)16-13/h6-7H,1-5H3
InChIKeyQUZBOVUGTKNFNQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.87
Rot. Bonds2

About 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole

3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole (PubChem CID 54248420) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole.

Molecular Properties

Compound Name3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole
PubChem CID54248420
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole
SMILESCSc1c(C)c(-c2cc(C)c(C)cc2F)nn1C
InChIInChI=1S/C14H17FN2S/c1-8-6-11(12(15)7-9(8)2)13-10(3)14(18-5)17(4)16-13/h6-7H,1-5H3
InChIKeyQUZBOVUGTKNFNQ-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Ethoxymethyl)-3-methylsulfanyl-4,5-dihydrobenzo[g]indazole
CID 134856860
1,3,5-Trimethyl-4-(2,4,6-trimethylphenyl)pyrazole
CID 16059045
5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 1475521
4-(4-Fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole
CID 15380219
3-(4-Chloro-2-fluorophenyl)-1,4-dimethyl-5-methylsulfanylpyrazole
CID 18690743
4-(4-Fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole
CID 19355628
1-Ethyl-3-(2-fluoro-4,5-dimethylphenyl)-4-methylpyrazole-5-carbonitrile
CID 20718479
1-Ethyl-3-(2-fluoro-4,5-dimethylphenyl)-4-methylpyrazole-5-carbothioamide
CID 20718480
4-Ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbonitrile
CID 20718505
4-Ethyl-3-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazole-5-carbothioamide
CID 20718506
3-(2-Fluoro-4,5-dimethylphenyl)-1,4-dimethylpyrazole-5-carbonitrile
CID 20718515
3-(2-Fluoro-4,5-dimethylphenyl)-1,4-dimethylpyrazole-5-carbothioamide
CID 20718516

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole?
The IUPAC name of 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole (CID 54248420) is 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole.
What is the SMILES notation for 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole?
The canonical SMILES for 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole is CSc1c(C)c(-c2cc(C)c(C)cc2F)nn1C.
What is the InChIKey of 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole?
The InChIKey is QUZBOVUGTKNFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-8-6-11(12(15)7-9(8)2)13-10(3)14(18-5)17(4)16-13/h6-7H,1-5H3.
What are the key properties of 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole?
3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole has a molecular weight of 264.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,5-dimethylphenyl)-1,4-dimethyl-5-methylsulfanylpyrazole is sourced from PubChem (CID 54248420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).