5-ethyl-3-(trifluoromethyl)-1H-pyrazole

C6H7F3N2 — CID 23006209

IUPAC5-ethyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyKCNZLFVWIBQNTR-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.99
Rot. Bonds1

About 5-ethyl-3-(trifluoromethyl)-1H-pyrazole

5-ethyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 23006209) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-ethyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID23006209
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-ethyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChIKeyKCNZLFVWIBQNTR-UHFFFAOYSA-N
XLogP1.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole (CID 23006209) is 5-ethyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole is CCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is KCNZLFVWIBQNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-2-4-3-5(11-10-4)6(7,8)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-3-(trifluoromethyl)-1H-pyrazole?
5-ethyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 23006209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).