[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine

C7H10BrN3 — CID 84723824

IUPAC[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
SMILESNCC1(n2cc(Br)cn2)CC1
InChIInChI=1S/C7H10BrN3/c8-6-3-10-11(4-6)7(5-9)1-2-7/h3-4H,1-2,5,9H2
InChIKeyKQNXXBFZBCWVGN-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.09
Rot. Bonds2

About [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine

[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine (PubChem CID 84723824) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
PubChem CID84723824
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine
SMILESNCC1(n2cc(Br)cn2)CC1
InChIInChI=1S/C7H10BrN3/c8-6-3-10-11(4-6)7(5-9)1-2-7/h3-4H,1-2,5,9H2
InChIKeyKQNXXBFZBCWVGN-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine (CID 84723824) is [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine is NCC1(n2cc(Br)cn2)CC1.
What is the InChIKey of [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine?
The InChIKey is KQNXXBFZBCWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c8-6-3-10-11(4-6)7(5-9)1-2-7/h3-4H,1-2,5,9H2.
What are the key properties of [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine?
[1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine has a molecular weight of 216.08 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromopyrazol-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 84723824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).