3,5-bis(trifluoromethyl)-1H-pyrazole

C5H2F6N2 — CID 518991

IUPAC3,5-bis(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-3(13-12-2)5(9,10)11/h1H,(H,12,13)
InChIKeyNGDDUAYSWPUSLX-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.45
Rot. Bonds

About 3,5-bis(trifluoromethyl)-1H-pyrazole

3,5-bis(trifluoromethyl)-1H-pyrazole (PubChem CID 518991) has the molecular formula C5H2F6N2 and a molecular weight of 204.07 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1H-pyrazole
PubChem CID518991
Molecular FormulaC5H2F6N2
Molecular Weight204.07 g/mol
Exact Mass204.01
IUPAC Name3,5-bis(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-3(13-12-2)5(9,10)11/h1H,(H,12,13)
InChIKeyNGDDUAYSWPUSLX-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
1H-Pyrazole-3,5-dicarbonitrile
CID 68584615
3-(bromomethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 12462055
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179
3-(Perfluoropentyl)-5-methylpyrazole
CID 2776343
3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 2782520
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23006209
5-Methyl-1H-pyrazole-3-carbonitrile
CID 39234960

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(trifluoromethyl)-1H-pyrazole (CID 518991) is 3,5-bis(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1H-pyrazole?
The InChIKey is NGDDUAYSWPUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2/c6-4(7,8)2-1-3(13-12-2)5(9,10)11/h1H,(H,12,13).
What are the key properties of 3,5-bis(trifluoromethyl)-1H-pyrazole?
3,5-bis(trifluoromethyl)-1H-pyrazole has a molecular weight of 204.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 518991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).