3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine

C6H9BrFN3 — CID 84687324

IUPAC3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cn1cc(Br)cn1
InChIInChI=1S/C6H9BrFN3/c7-5-2-10-11(3-5)4-6(8)1-9/h2-3,6H,1,4,9H2
InChIKeyNAJFLELSTAQKHP-UHFFFAOYSA-N
MW222.06 g/mol
LogP0.94
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine

3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine (PubChem CID 84687324) has the molecular formula C6H9BrFN3 and a molecular weight of 222.06 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine
PubChem CID84687324
Molecular FormulaC6H9BrFN3
Molecular Weight222.06 g/mol
Exact Mass221.00
IUPAC Name3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine
SMILESNCC(F)Cn1cc(Br)cn1
InChIInChI=1S/C6H9BrFN3/c7-5-2-10-11(3-5)4-6(8)1-9/h2-3,6H,1,4,9H2
InChIKeyNAJFLELSTAQKHP-UHFFFAOYSA-N
XLogP0.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine (CID 84687324) is 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine is NCC(F)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine?
The InChIKey is NAJFLELSTAQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrFN3/c7-5-2-10-11(3-5)4-6(8)1-9/h2-3,6H,1,4,9H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine?
3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine has a molecular weight of 222.06 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 84687324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).