2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride

C8H13BrClN3 — CID 167994610

IUPAC2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCCC1n1cc(Br)cn1
InChIInChI=1S/C8H12BrN3.ClH/c9-6-4-11-12(5-6)8-3-1-2-7(8)10;/h4-5,7-8H,1-3,10H2;1H
InChIKeyUZXOYWHPXCQZET-UHFFFAOYSA-N
MW266.57 g/mol
LogP2.12
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride

2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride (PubChem CID 167994610) has the molecular formula C8H13BrClN3 and a molecular weight of 266.57 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride
PubChem CID167994610
Molecular FormulaC8H13BrClN3
Molecular Weight266.57 g/mol
Exact Mass265.00
IUPAC Name2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCCC1n1cc(Br)cn1
InChIInChI=1S/C8H12BrN3.ClH/c9-6-4-11-12(5-6)8-3-1-2-7(8)10;/h4-5,7-8H,1-3,10H2;1H
InChIKeyUZXOYWHPXCQZET-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride (CID 167994610) is 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride is Cl.NC1CCCC1n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride?
The InChIKey is UZXOYWHPXCQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3.ClH/c9-6-4-11-12(5-6)8-3-1-2-7(8)10;/h4-5,7-8H,1-3,10H2;1H.
What are the key properties of 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride?
2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 167994610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).