2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol

C11H17BrN2O2 — CID 114662410

IUPAC2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
SMILESCOCCn1ncc(Br)c1C1CCCC1O
InChIInChI=1S/C11H17BrN2O2/c1-16-6-5-14-11(9(12)7-13-14)8-3-2-4-10(8)15/h7-8,10,15H,2-6H2,1H3
InChIKeyJOGFYNAOJMBPIE-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.92
Rot. Bonds4

About 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol (PubChem CID 114662410) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
PubChem CID114662410
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
SMILESCOCCn1ncc(Br)c1C1CCCC1O
InChIInChI=1S/C11H17BrN2O2/c1-16-6-5-14-11(9(12)7-13-14)8-3-2-4-10(8)15/h7-8,10,15H,2-6H2,1H3
InChIKeyJOGFYNAOJMBPIE-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
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
[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
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylcyclopentan-1-ol
CID 114665161
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptylethanone
CID 115805876

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol (CID 114662410) is 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol is COCCn1ncc(Br)c1C1CCCC1O.
What is the InChIKey of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol?
The InChIKey is JOGFYNAOJMBPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-16-6-5-14-11(9(12)7-13-14)8-3-2-4-10(8)15/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol?
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol has a molecular weight of 289.17 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 114662410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).