4-bromo-1-(4-fluorobutyl)pyrazol-3-amine

C7H11BrFN3 — CID 165473430

IUPAC4-bromo-1-(4-fluorobutyl)pyrazol-3-amine
SMILESNc1nn(CCCCF)cc1Br
InChIInChI=1S/C7H11BrFN3/c8-6-5-12(11-7(6)10)4-2-1-3-9/h5H,1-4H2,(H2,10,11)
InChIKeyUAOWMEAYHMSJHW-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.98
Rot. Bonds4

About 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine

4-bromo-1-(4-fluorobutyl)pyrazol-3-amine (PubChem CID 165473430) has the molecular formula C7H11BrFN3 and a molecular weight of 236.09 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(4-fluorobutyl)pyrazol-3-amine
PubChem CID165473430
Molecular FormulaC7H11BrFN3
Molecular Weight236.09 g/mol
Exact Mass235.01
IUPAC Name4-bromo-1-(4-fluorobutyl)pyrazol-3-amine
SMILESNc1nn(CCCCF)cc1Br
InChIInChI=1S/C7H11BrFN3/c8-6-5-12(11-7(6)10)4-2-1-3-9/h5H,1-4H2,(H2,10,11)
InChIKeyUAOWMEAYHMSJHW-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine (CID 165473430) is 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine is Nc1nn(CCCCF)cc1Br.
What is the InChIKey of 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine?
The InChIKey is UAOWMEAYHMSJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrFN3/c8-6-5-12(11-7(6)10)4-2-1-3-9/h5H,1-4H2,(H2,10,11).
What are the key properties of 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine?
4-bromo-1-(4-fluorobutyl)pyrazol-3-amine has a molecular weight of 236.09 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorobutyl)pyrazol-3-amine is sourced from PubChem (CID 165473430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).