5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole

C11H17F3N2 — CID 168735209

IUPAC5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
SMILESCC(C)(C)C(C)(C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-9(2,3)10(4,5)7-6-15-16-8(7)11(12,13)14/h6H,1-5H3,(H,15,16)
InChIKeyXHKZAXHCOAHWLA-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.75
Rot. Bonds1

About 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole

5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole (PubChem CID 168735209) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
PubChem CID168735209
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
SMILESCC(C)(C)C(C)(C)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-9(2,3)10(4,5)7-6-15-16-8(7)11(12,13)14/h6H,1-5H3,(H,15,16)
InChIKeyXHKZAXHCOAHWLA-UHFFFAOYSA-N
XLogP3.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole
CID 122695042
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
CID 174537215
tert-butyl N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 155144878
4-(3-propan-2-yloxiran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 162599457
4,5-bis(trifluoromethyl)-1H-pyrazole;1-methyl-3,4-bis(trifluoromethyl)pyrazole-5-carboxylic acid
CID 158503440
4-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1H-pyrazole
CID 67797012
2,2,2-trifluoro-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 11009809
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 131601570
[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
CID 155973658
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 96862308

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole (CID 168735209) is 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole is CC(C)(C)C(C)(C)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
The InChIKey is XHKZAXHCOAHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-9(2,3)10(4,5)7-6-15-16-8(7)11(12,13)14/h6H,1-5H3,(H,15,16).
What are the key properties of 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole?
5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole has a molecular weight of 234.26 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4-(2,3,3-trimethylbutan-2-yl)-1H-pyrazole is sourced from PubChem (CID 168735209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).