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

C10H17F3N2 — CID 163231919

IUPAC4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
SMILESCCC.CCc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C7H9F3N2.C3H8/c1-3-5-4(2)11-12-6(5)7(8,9)10;1-3-2/h3H2,1-2H3,(H,11,12);3H2,1-2H3
InChIKeyVUOWBJILTRBVHV-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.72
Rot. Bonds1

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

4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane (PubChem CID 163231919) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
PubChem CID163231919
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane
SMILESCCC.CCc1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C7H9F3N2.C3H8/c1-3-5-4(2)11-12-6(5)7(8,9)10;1-3-2/h3H2,1-2H3,(H,11,12);3H2,1-2H3
InChIKeyVUOWBJILTRBVHV-UHFFFAOYSA-N
XLogP3.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
CID 165431141
1-[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 121213254
4-ethyl-5-methyl-1H-pyrazol-3-amine
CID 3159689
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 53398873
3-tert-butyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 160726622
(3-tert-butyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 54850651
N-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
CID 169473905
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propane-1,2,3-triol
CID 170818205
trimethyl-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethynyl]silane
CID 147192485
4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]but-3-enal
CID 170482186
methyl 5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfinate
CID 20675413

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane?
The IUPAC name of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane (CID 163231919) is 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane.
What is the SMILES notation for 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane?
The canonical SMILES for 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane is CCC.CCc1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane?
The InChIKey is VUOWBJILTRBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.C3H8/c1-3-5-4(2)11-12-6(5)7(8,9)10;1-3-2/h3H2,1-2H3,(H,11,12);3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane?
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole;propane has a molecular weight of 222.25 g/mol, XLogP of 3.72, 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;propane is sourced from PubChem (CID 163231919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).