5-propyl-1-(2,2,2-trifluoroethyl)pyrazole

C8H11F3N2 — CID 88974496

IUPAC5-propyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-3-7-4-5-12-13(7)6-8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyMIYBRMRNWWJVIT-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.40
Rot. Bonds3

About 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole

5-propyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 88974496) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-propyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID88974496
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-propyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-3-7-4-5-12-13(7)6-8(9,10)11/h4-5H,2-3,6H2,1H3
InChIKeyMIYBRMRNWWJVIT-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 88974496) is 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole is CCCc1ccnn1CC(F)(F)F.
What is the InChIKey of 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is MIYBRMRNWWJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-3-7-4-5-12-13(7)6-8(9,10)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole?
5-propyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 88974496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).