2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide

C11H19BrIN5 — CID 120973646

IUPAC2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CCn1cc(Br)cn1)NC1CCCC1
InChIInChI=1S/C11H18BrN5.HI/c12-9-7-15-17(8-9)6-5-14-11(13)16-10-3-1-2-4-10;/h7-8,10H,1-6H2,(H3,13,14,16);1H
InChIKeyKHLLNUSZIAIPMW-UHFFFAOYSA-N
MW428.12 g/mol
LogP2.11
Rot. Bonds4

About 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide

2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide (PubChem CID 120973646) has the molecular formula C11H19BrIN5 and a molecular weight of 428.12 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide
PubChem CID120973646
Molecular FormulaC11H19BrIN5
Molecular Weight428.12 g/mol
Exact Mass426.99
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CCn1cc(Br)cn1)NC1CCCC1
InChIInChI=1S/C11H18BrN5.HI/c12-9-7-15-17(8-9)6-5-14-11(13)16-10-3-1-2-4-10;/h7-8,10H,1-6H2,(H3,13,14,16);1H
InChIKeyKHLLNUSZIAIPMW-UHFFFAOYSA-N
XLogP2.11
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
1-amino-2-[2-(4-bromopyrazol-1-yl)ethyl]guanidine
CID 130563760
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
N'-[2-(4-bromopyrazol-1-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 120973640
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
2-[2-(5-bromo-2-fluorophenyl)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119120172
1-cyclohexyl-2-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]guanidine;hydroiodide
CID 119147417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide (CID 120973646) is 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide is I.N/C(=N\CCn1cc(Br)cn1)NC1CCCC1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide?
The InChIKey is KHLLNUSZIAIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5.HI/c12-9-7-15-17(8-9)6-5-14-11(13)16-10-3-1-2-4-10;/h7-8,10H,1-6H2,(H3,13,14,16);1H.
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide?
2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide has a molecular weight of 428.12 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethyl]-1-cyclopentylguanidine;hydroiodide is sourced from PubChem (CID 120973646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).