2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one

C17H22N2O — CID 82693837

IUPAC2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCc1cc(CC)n(C(C)C(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H22N2O/c1-5-15-11-16(6-2)19(18-15)13(4)17(20)14-9-7-12(3)8-10-14/h7-11,13H,5-6H2,1-4H3
InChIKeySTWWNVAXVAOMRQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds5

About 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one

2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 82693837) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID82693837
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCc1cc(CC)n(C(C)C(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H22N2O/c1-5-15-11-16(6-2)19(18-15)13(4)17(20)14-9-7-12(3)8-10-14/h7-11,13H,5-6H2,1-4H3
InChIKeySTWWNVAXVAOMRQ-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
CID 42981745
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054
1-(4-chlorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propan-1-one
CID 61237790
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
2-(3,5-diethylpyrazol-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 82693699
3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
CID 105482258
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one (CID 82693837) is 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one is CCc1cc(CC)n(C(C)C(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is STWWNVAXVAOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-15-11-16(6-2)19(18-15)13(4)17(20)14-9-7-12(3)8-10-14/h7-11,13H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one?
2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 270.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 82693837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).