2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol

C8H13ClN2O2 — CID 114662418

IUPAC2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
SMILESCOCCn1ncc(Cl)c1CCO
InChIInChI=1S/C8H13ClN2O2/c1-13-5-3-11-8(2-4-12)7(9)6-10-11/h6,12H,2-5H2,1H3
InChIKeyLDIHZAYTNZXTRP-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.72
Rot. Bonds5

About 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol

2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol (PubChem CID 114662418) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
PubChem CID114662418
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
SMILESCOCCn1ncc(Cl)c1CCO
InChIInChI=1S/C8H13ClN2O2/c1-13-5-3-11-8(2-4-12)7(9)6-10-11/h6,12H,2-5H2,1H3
InChIKeyLDIHZAYTNZXTRP-UHFFFAOYSA-N
XLogP0.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
CID 114665024
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 114664422
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
CID 114664479
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylbutan-1-one
CID 114671235
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol?
The IUPAC name of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol (CID 114662418) is 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol is COCCn1ncc(Cl)c1CCO.
What is the InChIKey of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol?
The InChIKey is LDIHZAYTNZXTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-13-5-3-11-8(2-4-12)7(9)6-10-11/h6,12H,2-5H2,1H3.
What are the key properties of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol?
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol has a molecular weight of 204.66 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol is sourced from PubChem (CID 114662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).