ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H17F3N2 — CID 156863648

IUPACethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.CC(C)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2.C2H6/c1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyROOBOCOXIGAWRS-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.59
Rot. Bonds1

About ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole

ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 156863648) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID156863648
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Nameethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.CC(C)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2.C2H6/c1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyROOBOCOXIGAWRS-UHFFFAOYSA-N
XLogP3.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 148767484
[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
CID 134286515
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
1-methyl-3-(trifluoromethyl)pyrazole-4-thiol
CID 123615919
ethane;1-methyl-4-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole
CID 170574049
1-phenyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59569138
1-methyl-4-(2-methylpropyl)-3-(trifluoromethyl)pyrazole
CID 146626732
1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 75480753
1-methyl-4-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole
CID 170376152
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 83675743
4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 90162148
(3S)-1-[(2S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 172908503

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 156863648) is ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is CC.CC(C)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is ROOBOCOXIGAWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2.C2H6/c1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole?
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 222.25 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 156863648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).