1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one

C15H18N2O3 — CID 114638771

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
SMILESCCn1ncc(OC)c1C(=O)CCOc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-17-15(14(19-2)11-16-17)13(18)9-10-20-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOZUQESSPIBJCAL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.56
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one (PubChem CID 114638771) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
PubChem CID114638771
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
SMILESCCn1ncc(OC)c1C(=O)CCOc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-17-15(14(19-2)11-16-17)13(18)9-10-20-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOZUQESSPIBJCAL-UHFFFAOYSA-N
XLogP2.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
1-(4-bromo-1-methylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638769
1-ethyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216813
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one (CID 114638771) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one is CCn1ncc(OC)c1C(=O)CCOc1ccccc1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one?
The InChIKey is OZUQESSPIBJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17-15(14(19-2)11-16-17)13(18)9-10-20-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one?
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one has a molecular weight of 274.32 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 114638771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).