1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone

C8H12N2O2 — CID 129451256

IUPAC1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone
SMILESCOCCn1ccc(C(C)=O)n1
InChIInChI=1S/C8H12N2O2/c1-7(11)8-3-4-10(9-8)5-6-12-2/h3-4H,5-6H2,1-2H3
InChIKeyISSRGNBYBWQTJB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.73
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone

1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone (PubChem CID 129451256) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone
PubChem CID129451256
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone
SMILESCOCCn1ccc(C(C)=O)n1
InChIInChI=1S/C8H12N2O2/c1-7(11)8-3-4-10(9-8)5-6-12-2/h3-4H,5-6H2,1-2H3
InChIKeyISSRGNBYBWQTJB-UHFFFAOYSA-N
XLogP0.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Methyl-1H-pyrazol-3-yl)ethan-1-one
CID 15710468
ethyl 3-(1-methyl-1H-pyrazol-3-yl)-3-oxopropanoate
CID 671233
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017233
1-(1-Methyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017416
1-(1-methyl-1H-pyrazol-3-yl)propan-1-one
CID 10701890
4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-4-one
CID 15356619
1-(1-tert-butyl-1H-pyrazol-3-yl)ethan-1-one
CID 57953879
2-bromo-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-one
CID 103123693
ethyl 3-(1-methyl-1H-pyrazol-5-yl)-3-oxopropanoate
CID 104877518
2-amino-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one hydrochloride
CID 137965903
methyl 3-(1-methyl-1H-pyrazol-3-yl)-3-oxopropanoate
CID 82654745
1-(1-tert-butyl-1H-pyrazol-5-yl)ethan-1-one
CID 83383561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone (CID 129451256) is 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone is COCCn1ccc(C(C)=O)n1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone?
The InChIKey is ISSRGNBYBWQTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(11)8-3-4-10(9-8)5-6-12-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone?
1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone has a molecular weight of 168.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 129451256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).