4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole

C11H16BrClN2O — CID 114662548

IUPAC4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1C1CCCC1Cl
InChIInChI=1S/C11H16BrClN2O/c1-16-6-5-15-11(9(12)7-14-15)8-3-2-4-10(8)13/h7-8,10H,2-6H2,1H3
InChIKeyZFBSMSWIGHRCNW-UHFFFAOYSA-N
MW307.62 g/mol
LogP3.17
Rot. Bonds4

About 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole

4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 114662548) has the molecular formula C11H16BrClN2O and a molecular weight of 307.62 g/mol. Its IUPAC name is 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
PubChem CID114662548
Molecular FormulaC11H16BrClN2O
Molecular Weight307.62 g/mol
Exact Mass306.01
IUPAC Name4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1C1CCCC1Cl
InChIInChI=1S/C11H16BrClN2O/c1-16-6-5-15-11(9(12)7-14-15)8-3-2-4-10(8)13/h7-8,10H,2-6H2,1H3
InChIKeyZFBSMSWIGHRCNW-UHFFFAOYSA-N
XLogP3.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
4-bromo-5-(2-chlorocycloheptyl)-1-methylpyrazole
CID 114662559
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
CID 114663304
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
4-chloro-5-(3-chlorocycloheptyl)-1-(2-methoxyethyl)pyrazole
CID 114665250

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole (CID 114662548) is 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Br)c1C1CCCC1Cl.
What is the InChIKey of 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is ZFBSMSWIGHRCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O/c1-16-6-5-15-11(9(12)7-14-15)8-3-2-4-10(8)13/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole?
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 307.62 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 114662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).