1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one

C16H20N2O3 — CID 114638776

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCOc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyATNZPVCFLKAIFI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one (PubChem CID 114638776) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
PubChem CID114638776
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCOc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyATNZPVCFLKAIFI-UHFFFAOYSA-N
XLogP3.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638771
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
CID 114671003
2-(2-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641023
3-(3-aminophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114670810
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086
1-(4-bromo-1-methylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638769
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828
2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114642687

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one (CID 114638776) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one is COc1cnn(C(C)C)c1C(=O)CCOc1ccccc1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one?
The InChIKey is ATNZPVCFLKAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one has a molecular weight of 288.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 114638776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).