3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C8H11F3N2 — CID 126670967

IUPAC3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1nn(CC(F)(F)F)cc1C
InChIInChI=1S/C8H11F3N2/c1-3-7-6(2)4-13(12-7)5-8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyPQIGQOBUSJZMCQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.32
Rot. Bonds2

About 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 126670967) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID126670967
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCc1nn(CC(F)(F)F)cc1C
InChIInChI=1S/C8H11F3N2/c1-3-7-6(2)4-13(12-7)5-8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyPQIGQOBUSJZMCQ-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 126670967) is 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is CCc1nn(CC(F)(F)F)cc1C.
What is the InChIKey of 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is PQIGQOBUSJZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-7-6(2)4-13(12-7)5-8(9,10)11/h4H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 126670967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).