1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol

C11H19BrN2O2 — CID 114664967

IUPAC1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
SMILESCCC(O)CCc1c(Br)cnn1CCOC
InChIInChI=1S/C11H19BrN2O2/c1-3-9(15)4-5-11-10(12)8-13-14(11)6-7-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyGISXQJKWXUWJCN-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.00
Rot. Bonds7

About 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol (PubChem CID 114664967) 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-3-ol.

Molecular Properties

Compound Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
PubChem CID114664967
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol
SMILESCCC(O)CCc1c(Br)cnn1CCOC
InChIInChI=1S/C11H19BrN2O2/c1-3-9(15)4-5-11-10(12)8-13-14(11)6-7-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyGISXQJKWXUWJCN-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
CID 114665364
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-amine
CID 114663770
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-3-ol
CID 114664927
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]-4-ethoxybutan-1-ol
CID 105128583
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropane-1,2-diol
CID 103449119
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypentan-1-ol
CID 114645610
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(difluoromethyl)phenyl]methanol
CID 114637618
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(dimethylamino)-2-ethylbutan-1-ol
CID 114644489
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol?
The IUPAC name of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol (CID 114664967) is 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol.
What is the SMILES notation for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol?
The canonical SMILES for 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol is CCC(O)CCc1c(Br)cnn1CCOC.
What is the InChIKey of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol?
The InChIKey is GISXQJKWXUWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-3-9(15)4-5-11-10(12)8-13-14(11)6-7-16-2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol?
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-3-ol has a molecular weight of 291.19 g/mol, XLogP of 2.00, 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-3-ol is sourced from PubChem (CID 114664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).