1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 20696771

IUPAC1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole
SMILESCC(C)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2/c1-6(2)4-13-5-7(3-12-13)8(9,10)11/h3,5-6H,4H2,1-2H3
InChIKeyXEMZXTMVRYFEPS-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole

1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole (PubChem CID 20696771) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole
PubChem CID20696771
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole
SMILESCC(C)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C8H11F3N2/c1-6(2)4-13-5-7(3-12-13)8(9,10)11/h3,5-6H,4H2,1-2H3
InChIKeyXEMZXTMVRYFEPS-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole (CID 20696771) is 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole is CC(C)Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is XEMZXTMVRYFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-6(2)4-13-5-7(3-12-13)8(9,10)11/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole?
1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 20696771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).