5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole

C8H11F3N2 — CID 23236438

IUPAC5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyHLBQLBKHFUQCDT-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.63
Rot. Bonds2

About 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole

5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 23236438) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID23236438
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)Cc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C8H11F3N2/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyHLBQLBKHFUQCDT-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole (CID 23236438) is 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole is CC(C)Cc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is HLBQLBKHFUQCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)3-6-4-7(13-12-6)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole?
5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 23236438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).