1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone

C16H20N2O — CID 62726881

IUPAC1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(Cc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H20N2O/c1-10-6-11(2)8-15(7-10)9-18-13(4)16(14(5)19)12(3)17-18/h6-8H,9H2,1-5H3
InChIKeyDSDFLJJNIZBGTJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds3

About 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 62726881) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID62726881
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(Cc2cc(C)cc(C)c2)c1C
InChIInChI=1S/C16H20N2O/c1-10-6-11(2)8-15(7-10)9-18-13(4)16(14(5)19)12(3)17-18/h6-8H,9H2,1-5H3
InChIKeyDSDFLJJNIZBGTJ-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727449
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
1-[(2-cyano-4-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 63881372
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565465
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
1-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]ethanone
CID 112591651
1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565410
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone (CID 62726881) is 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(Cc2cc(C)cc(C)c2)c1C.
What is the InChIKey of 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is DSDFLJJNIZBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-11(2)8-15(7-10)9-18-13(4)16(14(5)19)12(3)17-18/h6-8H,9H2,1-5H3.
What are the key properties of 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 62726881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).