5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole

C10H15F3N2 — CID 135141870

IUPAC5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole
SMILESCC(CCC(C)C(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C10H15F3N2/c1-7(9-5-6-14-15-9)3-4-8(2)10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUYTJAKHGXYCBQU-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.49
Rot. Bonds4

About 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole

5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole (PubChem CID 135141870) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole
PubChem CID135141870
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole
SMILESCC(CCC(C)C(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C10H15F3N2/c1-7(9-5-6-14-15-9)3-4-8(2)10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyUYTJAKHGXYCBQU-UHFFFAOYSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole (CID 135141870) is 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole is CC(CCC(C)C(F)(F)F)c1ccn[nH]1.
What is the InChIKey of 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole?
The InChIKey is UYTJAKHGXYCBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-7(9-5-6-14-15-9)3-4-8(2)10(11,12)13/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole?
5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6,6-trifluoro-5-methylhexan-2-yl)-1H-pyrazole is sourced from PubChem (CID 135141870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).