3-methylsulfanyl-5-phenyl-1H-pyrazole

C10H10N2S — CID 4292763

IUPAC3-methylsulfanyl-5-phenyl-1H-pyrazole
SMILESCSc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C10H10N2S/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyGWFPTEIQBSEGIF-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.80
Rot. Bonds2

About 3-methylsulfanyl-5-phenyl-1H-pyrazole

3-methylsulfanyl-5-phenyl-1H-pyrazole (PubChem CID 4292763) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-methylsulfanyl-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name3-methylsulfanyl-5-phenyl-1H-pyrazole
PubChem CID4292763
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-methylsulfanyl-5-phenyl-1H-pyrazole
SMILESCSc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C10H10N2S/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyGWFPTEIQBSEGIF-UHFFFAOYSA-N
XLogP2.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The IUPAC name of 3-methylsulfanyl-5-phenyl-1H-pyrazole (CID 4292763) is 3-methylsulfanyl-5-phenyl-1H-pyrazole.
What is the SMILES notation for 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The canonical SMILES for 3-methylsulfanyl-5-phenyl-1H-pyrazole is CSc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 3-methylsulfanyl-5-phenyl-1H-pyrazole?
The InChIKey is GWFPTEIQBSEGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12).
What are the key properties of 3-methylsulfanyl-5-phenyl-1H-pyrazole?
3-methylsulfanyl-5-phenyl-1H-pyrazole has a molecular weight of 190.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-phenyl-1H-pyrazole is sourced from PubChem (CID 4292763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).