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

C11H19BrN2O2 — CID 114635600

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H19BrN2O2/c1-3-4-5-10(15)11-9(12)8-13-14(11)6-7-16-2/h8,10,15H,3-7H2,1-2H3
InChIKeyIFMLYCHKOLDSKQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.52
Rot. Bonds7

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

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol (PubChem CID 114635600) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
PubChem CID114635600
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1CCOC
InChIInChI=1S/C11H19BrN2O2/c1-3-4-5-10(15)11-9(12)8-13-14(11)6-7-16-2/h8,10,15H,3-7H2,1-2H3
InChIKeyIFMLYCHKOLDSKQ-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxybutan-1-ol
CID 105128583
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypentan-1-ol
CID 114645610
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propylpentan-1-amine
CID 105043059

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol (CID 114635600) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol is CCCCC(O)c1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol?
The InChIKey is IFMLYCHKOLDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-3-4-5-10(15)11-9(12)8-13-14(11)6-7-16-2/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol has a molecular weight of 291.19 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol is sourced from PubChem (CID 114635600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).