3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one

C16H20N2O2 — CID 116751403

IUPAC3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one
SMILESCCc1cc(CC(=O)C(OC)c2ccccc2)n(C)n1
InChIInChI=1S/C16H20N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h5-10,16H,4,11H2,1-3H3
InChIKeyKFBNHHDEBURSDN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds6

About 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one

3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one (PubChem CID 116751403) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one
PubChem CID116751403
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one
SMILESCCc1cc(CC(=O)C(OC)c2ccccc2)n(C)n1
InChIInChI=1S/C16H20N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h5-10,16H,4,11H2,1-3H3
InChIKeyKFBNHHDEBURSDN-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-butan-2-ylpyrazol-3-yl)-1-methoxy-1-phenylpropan-2-one
CID 116751554
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one?
The IUPAC name of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one (CID 116751403) is 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one is CCc1cc(CC(=O)C(OC)c2ccccc2)n(C)n1.
What is the InChIKey of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one?
The InChIKey is KFBNHHDEBURSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-13-10-14(18(2)17-13)11-15(19)16(20-3)12-8-6-5-7-9-12/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one?
3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 116751403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).