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

C11H17BrN2O2 — CID 114637094

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
SMILESCOCCn1ncc(Br)c1C(O)C1CCC1
InChIInChI=1S/C11H17BrN2O2/c1-16-6-5-14-10(9(12)7-13-14)11(15)8-3-2-4-8/h7-8,11,15H,2-6H2,1H3
InChIKeyZMWFXPMHEIFSFY-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.13
Rot. Bonds5

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

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol (PubChem CID 114637094) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
PubChem CID114637094
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
SMILESCOCCn1ncc(Br)c1C(O)C1CCC1
InChIInChI=1S/C11H17BrN2O2/c1-16-6-5-14-10(9(12)7-13-14)11(15)8-3-2-4-8/h7-8,11,15H,2-6H2,1H3
InChIKeyZMWFXPMHEIFSFY-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,1-dioxothian-2-yl)methanol
CID 115835725
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethyl]hydrazine
CID 105254185
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanamine
CID 114655524
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylimidazol-4-yl)methanol
CID 114636697
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol (CID 114637094) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol is COCCn1ncc(Br)c1C(O)C1CCC1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol?
The InChIKey is ZMWFXPMHEIFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-16-6-5-14-10(9(12)7-13-14)11(15)8-3-2-4-8/h7-8,11,15H,2-6H2,1H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol has a molecular weight of 289.17 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol is sourced from PubChem (CID 114637094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).