1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole

C10H10F3N3S — CID 57239272

IUPAC1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole
SMILESCCn1ncc(SC(F)(F)F)c1-n1cccc1
InChIInChI=1S/C10H10F3N3S/c1-2-16-9(15-5-3-4-6-15)8(7-14-16)17-10(11,12)13/h3-7H,2H2,1H3
InChIKeyXPJZRAIQFUMMFB-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.31
Rot. Bonds3

About 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole

1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole (PubChem CID 57239272) has the molecular formula C10H10F3N3S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole
PubChem CID57239272
Molecular FormulaC10H10F3N3S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole
SMILESCCn1ncc(SC(F)(F)F)c1-n1cccc1
InChIInChI=1S/C10H10F3N3S/c1-2-16-9(15-5-3-4-6-15)8(7-14-16)17-10(11,12)13/h3-7H,2H2,1H3
InChIKeyXPJZRAIQFUMMFB-UHFFFAOYSA-N
XLogP3.31
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole?
The IUPAC name of 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole (CID 57239272) is 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole?
The canonical SMILES for 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole is CCn1ncc(SC(F)(F)F)c1-n1cccc1.
What is the InChIKey of 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole?
The InChIKey is XPJZRAIQFUMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S/c1-2-16-9(15-5-3-4-6-15)8(7-14-16)17-10(11,12)13/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole?
1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole has a molecular weight of 261.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole is sourced from PubChem (CID 57239272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).