1-(3-bromopropyl)pyrazole;hydrobromide

C6H10Br2N2 — CID 155944004

IUPAC1-(3-bromopropyl)pyrazole;hydrobromide
SMILESBr.BrCCCn1cccn1
InChIInChI=1S/C6H9BrN2.BrH/c7-3-1-5-9-6-2-4-8-9;/h2,4,6H,1,3,5H2;1H
InChIKeyKZBONGLBMMBJNB-UHFFFAOYSA-N
MW269.97 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-bromopropyl)pyrazole;hydrobromide

1-(3-bromopropyl)pyrazole;hydrobromide (PubChem CID 155944004) has the molecular formula C6H10Br2N2 and a molecular weight of 269.97 g/mol. Its IUPAC name is 1-(3-bromopropyl)pyrazole;hydrobromide.

Molecular Properties

Compound Name1-(3-bromopropyl)pyrazole;hydrobromide
PubChem CID155944004
Molecular FormulaC6H10Br2N2
Molecular Weight269.97 g/mol
Exact Mass267.92
IUPAC Name1-(3-bromopropyl)pyrazole;hydrobromide
SMILESBr.BrCCCn1cccn1
InChIInChI=1S/C6H9BrN2.BrH/c7-3-1-5-9-6-2-4-8-9;/h2,4,6H,1,3,5H2;1H
InChIKeyKZBONGLBMMBJNB-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.97
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-bromopropyl)pyrazole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentylpyrazole;propane
CID 156859541
4-pyrazol-1-ylbutan-1-ol
CID 43509832
1-(4-fluorobutyl)pyrazole
CID 89149244
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
1-(4,4,4-trifluorobutyl)pyrazole
CID 115518539
1-(3-ethylsulfanylpropyl)pyrazole
CID 115651086
1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
CID 131845717
1-hept-6-enylpyrazole
CID 107010190
1-(4,4-dimethylhexyl)pyrazole
CID 166788525
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
1-(3-phenoxypropyl)pyrazole
CID 55028379
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)pyrazole;hydrobromide?
The IUPAC name of 1-(3-bromopropyl)pyrazole;hydrobromide (CID 155944004) is 1-(3-bromopropyl)pyrazole;hydrobromide.
What is the SMILES notation for 1-(3-bromopropyl)pyrazole;hydrobromide?
The canonical SMILES for 1-(3-bromopropyl)pyrazole;hydrobromide is Br.BrCCCn1cccn1.
What is the InChIKey of 1-(3-bromopropyl)pyrazole;hydrobromide?
The InChIKey is KZBONGLBMMBJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2.BrH/c7-3-1-5-9-6-2-4-8-9;/h2,4,6H,1,3,5H2;1H.
What are the key properties of 1-(3-bromopropyl)pyrazole;hydrobromide?
1-(3-bromopropyl)pyrazole;hydrobromide has a molecular weight of 269.97 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)pyrazole;hydrobromide is sourced from PubChem (CID 155944004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).