4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole

C10H15F3N2S — CID 162551704

IUPAC4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(C)c1SC(C)C
InChIInChI=1S/C10H15F3N2S/c1-5-7-8(10(11,12)13)14-15(4)9(7)16-6(2)3/h6H,5H2,1-4H3
InChIKeySNWZYDSATDECIB-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.50
Rot. Bonds3

About 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole

4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole (PubChem CID 162551704) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
PubChem CID162551704
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(C)c1SC(C)C
InChIInChI=1S/C10H15F3N2S/c1-5-7-8(10(11,12)13)14-15(4)9(7)16-6(2)3/h6H,5H2,1-4H3
InChIKeySNWZYDSATDECIB-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole (CID 162551704) is 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole is CCc1c(C(F)(F)F)nn(C)c1SC(C)C.
What is the InChIKey of 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole?
The InChIKey is SNWZYDSATDECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-5-7-8(10(11,12)13)14-15(4)9(7)16-6(2)3/h6H,5H2,1-4H3.
What are the key properties of 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole?
4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole has a molecular weight of 252.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-5-propan-2-ylsulfanyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162551704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).