1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone

C9H14N2O2 — CID 105115019

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
SMILESCCc1cc(C(=O)COC)n(C)n1
InChIInChI=1S/C9H14N2O2/c1-4-7-5-8(11(2)10-7)9(12)6-13-3/h5H,4,6H2,1-3H3
InChIKeyCPRYIIGVWVDORU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone (PubChem CID 105115019) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
PubChem CID105115019
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
SMILESCCc1cc(C(=O)COC)n(C)n1
InChIInChI=1S/C9H14N2O2/c1-4-7-5-8(11(2)10-7)9(12)6-13-3/h5H,4,6H2,1-3H3
InChIKeyCPRYIIGVWVDORU-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017503
2-(1,5-dimethyl-1H-pyrazol-3-yl)-2-oxoacetic acid
CID 165862055
Ethyl 3-(1-ethyl-3-methyl-1h-pyrazol-5-yl)-3-oxopropanoate
CID 129884270
Ethyl 3-(3-(difluoromethyl)-1-methyl-1H-pyrazol-5-yl)-3-oxopropanoate
CID 84820137
ethyl 3-(1,3-dimethyl-1H-pyrazol-5-yl)-3-oxopropanoate
CID 6422536
2-Propanone, 1-(3-acetyl-5-methyl-1H-pyrazol-1-yl)-
CID 91691739
3-(2-Methoxyethyl)-1-methylpyrazole-5-carboxamide
CID 17929960
3-Acetyl-5-ethyl-1-methylpyrazole
CID 22145403
3-Acetyl-1,5-diethylpyrazole
CID 22145407
1-(3-Ethyl-1-methyl-1H-pyrazol-5-YL)ethan-1-one
CID 23397366
1-(3-Tert-butyl-1-methylpyrazol-5-yl)-2-hydroxyethanone
CID 58057170
1-(3-Acetyl-1-methylpyrazol-5-yl)ethanone
CID 58505846

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone (CID 105115019) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone is CCc1cc(C(=O)COC)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone?
The InChIKey is CPRYIIGVWVDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-7-5-8(11(2)10-7)9(12)6-13-3/h5H,4,6H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone has a molecular weight of 182.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone is sourced from PubChem (CID 105115019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).