2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone

C8H12N2O2 — CID 79567430

IUPAC2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
SMILESCCOCC(=O)c1ccn(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-12-6-8(11)7-4-5-10(2)9-7/h4-5H,3,6H2,1-2H3
InChIKeyVTPGBRMSPJVHDE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.64
Rot. Bonds4

About 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone

2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 79567430) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID79567430
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
SMILESCCOCC(=O)c1ccn(C)n1
InChIInChI=1S/C8H12N2O2/c1-3-12-6-8(11)7-4-5-10(2)9-7/h4-5H,3,6H2,1-2H3
InChIKeyVTPGBRMSPJVHDE-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 103119226
2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133858
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
CID 103130398
3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103133867
(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255
3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133558
2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133024
tert-butyl 4-(1-methylpyrazol-3-yl)-4-oxobutanoate
CID 166705249
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
2-ethoxy-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811790
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone (CID 79567430) is 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone is CCOCC(=O)c1ccn(C)n1.
What is the InChIKey of 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is VTPGBRMSPJVHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-6-8(11)7-4-5-10(2)9-7/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone?
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 168.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 79567430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).