4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine

C7H11BrFN3 — CID 165481620

IUPAC4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine
SMILESCC(C)(F)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H11BrFN3/c1-7(2,9)4-12-3-5(8)6(10)11-12/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyOFCNIQBIVIJBGP-UHFFFAOYSA-N
MW236.09 g/mol
LogP1.98
Rot. Bonds2

About 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine

4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine (PubChem CID 165481620) has the molecular formula C7H11BrFN3 and a molecular weight of 236.09 g/mol. Its IUPAC name is 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine
PubChem CID165481620
Molecular FormulaC7H11BrFN3
Molecular Weight236.09 g/mol
Exact Mass235.01
IUPAC Name4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine
SMILESCC(C)(F)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H11BrFN3/c1-7(2,9)4-12-3-5(8)6(10)11-12/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyOFCNIQBIVIJBGP-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine (CID 165481620) is 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine is CC(C)(F)Cn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine?
The InChIKey is OFCNIQBIVIJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrFN3/c1-7(2,9)4-12-3-5(8)6(10)11-12/h3H,4H2,1-2H3,(H2,10,11).
What are the key properties of 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine?
4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine has a molecular weight of 236.09 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-fluoro-2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 165481620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).