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

C10H18ClF3N2 — CID 143994582

IUPAC5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.CC.Cc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C6H6ClF3N2.2C2H6/c1-3-4(6(8,9)10)11-12(2)5(3)7;2*1-2/h1-2H3;2*1-2H3
InChIKeyGLEPBKDXUADHHX-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.45
Rot. Bonds

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

5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane (PubChem CID 143994582) has the molecular formula C10H18ClF3N2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane.

Molecular Properties

Compound Name5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane
PubChem CID143994582
Molecular FormulaC10H18ClF3N2
Molecular Weight258.71 g/mol
Exact Mass258.11
IUPAC Name5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.CC.Cc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C6H6ClF3N2.2C2H6/c1-3-4(6(8,9)10)11-12(2)5(3)7;2*1-2/h1-2H3;2*1-2H3
InChIKeyGLEPBKDXUADHHX-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
5-chloro-1,3,4-trimethylpyrazole;ethane
CID 143473362
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 2783021
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propane-1,2,3-triol
CID 170819193
3-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroxypropanoic acid
CID 170825340
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
CID 167806079
1,5-dimethyl-4-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 70851916
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 14836867
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 66016106
2-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-methylpyridine
CID 66021406

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane?
The IUPAC name of 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane (CID 143994582) is 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane.
What is the SMILES notation for 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane?
The canonical SMILES for 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane is CC.CC.Cc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane?
The InChIKey is GLEPBKDXUADHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2.2C2H6/c1-3-4(6(8,9)10)11-12(2)5(3)7;2*1-2/h1-2H3;2*1-2H3.
What are the key properties of 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane?
5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane has a molecular weight of 258.71 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dimethyl-3-(trifluoromethyl)pyrazole;ethane is sourced from PubChem (CID 143994582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).