1-(1,1,1-trifluoropentan-2-yl)pyrazole

C8H11F3N2 — CID 89114466

IUPAC1-(1,1,1-trifluoropentan-2-yl)pyrazole
SMILESCCCC(n1cccn1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-4-7(8(9,10)11)13-6-3-5-12-13/h3,5-7H,2,4H2,1H3
InChIKeyVHSPKCFDHNFSHS-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.79
Rot. Bonds3

About 1-(1,1,1-trifluoropentan-2-yl)pyrazole

1-(1,1,1-trifluoropentan-2-yl)pyrazole (PubChem CID 89114466) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropentan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(1,1,1-trifluoropentan-2-yl)pyrazole
PubChem CID89114466
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-(1,1,1-trifluoropentan-2-yl)pyrazole
SMILESCCCC(n1cccn1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-4-7(8(9,10)11)13-6-3-5-12-13/h3,5-7H,2,4H2,1H3
InChIKeyVHSPKCFDHNFSHS-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1-trifluoropentan-2-yl)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 1-(1,1,1-trifluoropentan-2-yl)pyrazole?
The IUPAC name of 1-(1,1,1-trifluoropentan-2-yl)pyrazole (CID 89114466) is 1-(1,1,1-trifluoropentan-2-yl)pyrazole.
What is the SMILES notation for 1-(1,1,1-trifluoropentan-2-yl)pyrazole?
The canonical SMILES for 1-(1,1,1-trifluoropentan-2-yl)pyrazole is CCCC(n1cccn1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropentan-2-yl)pyrazole?
The InChIKey is VHSPKCFDHNFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-4-7(8(9,10)11)13-6-3-5-12-13/h3,5-7H,2,4H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropentan-2-yl)pyrazole?
1-(1,1,1-trifluoropentan-2-yl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropentan-2-yl)pyrazole is sourced from PubChem (CID 89114466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).