3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole

C7H9F3N2 — CID 91065027

IUPAC3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCCc1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N2/c1-2-5-3-6(12-11-5)4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyMWMSUCVDKPLJCG-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.08
Rot. Bonds2

About 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole

3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole (PubChem CID 91065027) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
PubChem CID91065027
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCCc1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N2/c1-2-5-3-6(12-11-5)4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyMWMSUCVDKPLJCG-UHFFFAOYSA-N
XLogP2.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole (CID 91065027) is 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole is CCc1cc(CC(F)(F)F)[nH]n1.
What is the InChIKey of 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is MWMSUCVDKPLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-2-5-3-6(12-11-5)4-7(8,9)10/h3H,2,4H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2,2,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 91065027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).