4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C11H17F3N2 — CID 134578340

IUPAC4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCC(C)c1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-5-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14/h6-8H,5H2,1-4H3
InChIKeyQANAWMOOLHZYOK-UHFFFAOYSA-N
MW234.26 g/mol
LogP4.00
Rot. Bonds3

About 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 134578340) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID134578340
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCC(C)c1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C11H17F3N2/c1-5-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14/h6-8H,5H2,1-4H3
InChIKeyQANAWMOOLHZYOK-UHFFFAOYSA-N
XLogP4.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 134578340) is 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CCC(C)c1cn(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is QANAWMOOLHZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-5-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14/h6-8H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 234.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134578340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).