5-butyl-3-(trifluoromethyl)-1H-pyrazole

C8H11F3N2 — CID 14297157

IUPAC5-butyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2/c1-2-3-4-6-5-7(13-12-6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyQCOCVGBRVUAGQF-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.77
Rot. Bonds3

About 5-butyl-3-(trifluoromethyl)-1H-pyrazole

5-butyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 14297157) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-butyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-butyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID14297157
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-butyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCCCCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2/c1-2-3-4-6-5-7(13-12-6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyQCOCVGBRVUAGQF-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.77
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
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3,5-Di-t-butylpyrazole
CID 136912
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
3,5-Diisopropylpyrazole
CID 5255229
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-butyl-3-(trifluoromethyl)-1H-pyrazole (CID 14297157) is 5-butyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-butyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-butyl-3-(trifluoromethyl)-1H-pyrazole is CCCCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-butyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is QCOCVGBRVUAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-3-4-6-5-7(13-12-6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-butyl-3-(trifluoromethyl)-1H-pyrazole?
5-butyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 14297157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).