5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C11H17F3N2 — CID 90162766

IUPAC5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C11H17F3N2/c1-7(2)5-9-6-10(11(12,13)14)15-16(9)8(3)4/h6-8H,5H2,1-4H3
InChIKeyBLEAORDPMXCDNW-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.68
Rot. Bonds3

About 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole

5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 90162766) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID90162766
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C11H17F3N2/c1-7(2)5-9-6-10(11(12,13)14)15-16(9)8(3)4/h6-8H,5H2,1-4H3
InChIKeyBLEAORDPMXCDNW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 90162766) is 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)Cc1cc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is BLEAORDPMXCDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-7(2)5-9-6-10(11(12,13)14)15-16(9)8(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 234.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).