4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole

C14H23F3N2 — CID 146175487

IUPAC4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole
SMILESCCCCCCc1cnn(CCCCC(F)(F)F)c1
InChIInChI=1S/C14H23F3N2/c1-2-3-4-5-8-13-11-18-19(12-13)10-7-6-9-14(15,16)17/h11-12H,2-10H2,1H3
InChIKeyUWWHUFTXEHOTPZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.74
Rot. Bonds9

About 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole

4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole (PubChem CID 146175487) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole.

Molecular Properties

Compound Name4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole
PubChem CID146175487
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole
SMILESCCCCCCc1cnn(CCCCC(F)(F)F)c1
InChIInChI=1S/C14H23F3N2/c1-2-3-4-5-8-13-11-18-19(12-13)10-7-6-9-14(15,16)17/h11-12H,2-10H2,1H3
InChIKeyUWWHUFTXEHOTPZ-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hexyl-1-(5,5,5-trifluoropentyl)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 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole?
The IUPAC name of 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole (CID 146175487) is 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole.
What is the SMILES notation for 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole?
The canonical SMILES for 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole is CCCCCCc1cnn(CCCCC(F)(F)F)c1.
What is the InChIKey of 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole?
The InChIKey is UWWHUFTXEHOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-2-3-4-5-8-13-11-18-19(12-13)10-7-6-9-14(15,16)17/h11-12H,2-10H2,1H3.
What are the key properties of 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole?
4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole has a molecular weight of 276.35 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-(5,5,5-trifluoropentyl)pyrazole is sourced from PubChem (CID 146175487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).