4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C6H6F4N2 — CID 20751262

IUPAC4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(F)c(C(F)(F)F)nn1C
InChIInChI=1S/C6H6F4N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3
InChIKeyAGWDPHYFKXILCA-UHFFFAOYSA-N
MW182.12 g/mol
LogP1.89
Rot. Bonds

About 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 20751262) has the molecular formula C6H6F4N2 and a molecular weight of 182.12 g/mol. Its IUPAC name is 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID20751262
Molecular FormulaC6H6F4N2
Molecular Weight182.12 g/mol
Exact Mass182.05
IUPAC Name4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1c(F)c(C(F)(F)F)nn1C
InChIInChI=1S/C6H6F4N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3
InChIKeyAGWDPHYFKXILCA-UHFFFAOYSA-N
XLogP1.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
4-Iodo-1,3,5-trimethyl-1H-pyrazole
CID 616702
1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole
CID 85801900
1,3,5-Trimethylpyrazole-4-boronic acid
CID 11171100
4-Bromo-1,5-Dimethyl-3-(Trifluoromethyl)-1H-Pyrazole
CID 11859045
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
CID 50896767
4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 62128429
5-(difluoromethyl)-3-ethynyl-1-methyl-1H-pyrazole
CID 176270227
1-(Difluoromethyl)-3,5-dimethylpyrazole
CID 2060834
1-Methyl-3,5-bis(trifluoro-methyl)-1h-pyrazole
CID 20798616
5-Fluoro-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
CID 13510273

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 20751262) is 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1c(F)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is AGWDPHYFKXILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3.
What are the key properties of 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 182.12 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 20751262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).