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

C7H9F3N2 — CID 18735151

IUPAC4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C7H9F3N2/c1-3-5-4(2)11-12-6(5)7(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyILPVARGNXIGUDE-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.30
Rot. Bonds1

About 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole

4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 18735151) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID18735151
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C7H9F3N2/c1-3-5-4(2)11-12-6(5)7(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyILPVARGNXIGUDE-UHFFFAOYSA-N
XLogP2.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole (CID 18735151) is 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole is CCc1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ILPVARGNXIGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-3-5-4(2)11-12-6(5)7(8,9)10/h3H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole?
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 18735151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).