3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C16H20N2O2 — CID 115580267

IUPAC3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)15(19)10-7-13-5-8-14(20-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3
InChIKeyQOLIVGMSMZVLCJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 115580267) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID115580267
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)15(19)10-7-13-5-8-14(20-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3
InChIKeyQOLIVGMSMZVLCJ-UHFFFAOYSA-N
XLogP2.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 102802775
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
CID 103373254
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30749972
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107063228
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114272870

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 115580267) is 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is COc1ccc(CCC(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is QOLIVGMSMZVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)15(19)10-7-13-5-8-14(20-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 115580267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).