4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole

C6H7F3N2S — CID 151780586

IUPAC4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCSCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c1-12-3-4-2-10-11-5(4)6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyRUMUZWPBYSWOLC-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.29
Rot. Bonds2

About 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 151780586) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID151780586
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCSCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c1-12-3-4-2-10-11-5(4)6(7,8)9/h2H,3H2,1H3,(H,10,11)
InChIKeyRUMUZWPBYSWOLC-UHFFFAOYSA-N
XLogP2.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 151780586) is 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole is CSCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is RUMUZWPBYSWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c1-12-3-4-2-10-11-5(4)6(7,8)9/h2H,3H2,1H3,(H,10,11).
What are the key properties of 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 196.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 151780586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).