4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane

C8H13F3N2 — CID 144506272

IUPAC4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane
SMILESCC.Cc1[nH]nc(C(F)(F)F)c1C
InChIInChI=1S/C6H7F3N2.C2H6/c1-3-4(2)10-11-5(3)6(7,8)9;1-2/h1-2H3,(H,10,11);1-2H3
InChIKeyADLXUAJSOJNICK-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.07
Rot. Bonds

About 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane

4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane (PubChem CID 144506272) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane
PubChem CID144506272
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane
SMILESCC.Cc1[nH]nc(C(F)(F)F)c1C
InChIInChI=1S/C6H7F3N2.C2H6/c1-3-4(2)10-11-5(3)6(7,8)9;1-2/h1-2H3,(H,10,11);1-2H3
InChIKeyADLXUAJSOJNICK-UHFFFAOYSA-N
XLogP3.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
4-(2-Bromoethyl)-3,5-dimethyl-1H-pyrazole
CID 572879
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine
CID 650797
3-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine
CID 17024655
3,5-Dimethyl-4-ethylpyrazole
CID 572877
4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine
CID 572718
3,5-Diethyl-4-methylpyrazole
CID 139517
3,4,5-Tris(trifluoromethyl)-1H-pyrazole
CID 13245508
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CID 17368230
4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 1206965
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 6603655

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane (CID 144506272) is 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane is CC.Cc1[nH]nc(C(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane?
The InChIKey is ADLXUAJSOJNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2.C2H6/c1-3-4(2)10-11-5(3)6(7,8)9;1-2/h1-2H3,(H,10,11);1-2H3.
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane?
4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane has a molecular weight of 194.20 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole;ethane is sourced from PubChem (CID 144506272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).