5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole

C10H9FN2S — CID 2737479

IUPAC5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyZDFTZMJWTJLPRE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.94
Rot. Bonds2

About 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole

5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole (PubChem CID 2737479) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
PubChem CID2737479
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)
InChIKeyZDFTZMJWTJLPRE-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
Celecoxib N-des(benzenesulfonamide)
CID 4166967
3-Phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 611322
3-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 871478
3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
CID 746386
3-(4-Fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 762931
5-(1,1,2,2,3,3,4,4-octafluorobutyl)-3-phenyl-1H-pyrazole
CID 2249931
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
3,5-bis(4-fluorophenyl)-1H-pyrazole
CID 16105479
3-(4-chlorophenyl)-5-(methylsulfanyl)-1H-pyrazole
CID 2807380

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole (CID 2737479) is 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole is CSc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
The InChIKey is ZDFTZMJWTJLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-14-10-6-9(12-13-10)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole?
5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole has a molecular weight of 208.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 2737479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).