1-ethyl-3-(trifluoromethyl)pyrazole

C6H7F3N2 — CID 50896565

IUPAC1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2/c1-2-11-4-3-5(10-11)6(7,8)9/h3-4H,2H2,1H3
InChIKeyDMKCKVIESYGHDR-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.92
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)pyrazole

1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 50896565) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID50896565
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2/c1-2-11-4-3-5(10-11)6(7,8)9/h3-4H,2H2,1H3
InChIKeyDMKCKVIESYGHDR-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazole (CID 50896565) is 1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazole is CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is DMKCKVIESYGHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-11-4-3-5(10-11)6(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazole?
1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 50896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).