1-(4-fluorobutyl)pyrazole

C7H11FN2 — CID 89149244

IUPAC1-(4-fluorobutyl)pyrazole
SMILESFCCCCn1cccn1
InChIInChI=1S/C7H11FN2/c8-4-1-2-6-10-7-3-5-9-10/h3,5,7H,1-2,4,6H2
InChIKeyPFSLQUGQPUOPAU-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-fluorobutyl)pyrazole

1-(4-fluorobutyl)pyrazole (PubChem CID 89149244) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(4-fluorobutyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorobutyl)pyrazole
PubChem CID89149244
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(4-fluorobutyl)pyrazole
SMILESFCCCCn1cccn1
InChIInChI=1S/C7H11FN2/c8-4-1-2-6-10-7-3-5-9-10/h3,5,7H,1-2,4,6H2
InChIKeyPFSLQUGQPUOPAU-UHFFFAOYSA-N
XLogP1.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)pyrazole?
The IUPAC name of 1-(4-fluorobutyl)pyrazole (CID 89149244) is 1-(4-fluorobutyl)pyrazole.
What is the SMILES notation for 1-(4-fluorobutyl)pyrazole?
The canonical SMILES for 1-(4-fluorobutyl)pyrazole is FCCCCn1cccn1.
What is the InChIKey of 1-(4-fluorobutyl)pyrazole?
The InChIKey is PFSLQUGQPUOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c8-4-1-2-6-10-7-3-5-9-10/h3,5,7H,1-2,4,6H2.
What are the key properties of 1-(4-fluorobutyl)pyrazole?
1-(4-fluorobutyl)pyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)pyrazole is sourced from PubChem (CID 89149244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).