1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one

C16H20N2O — CID 132543233

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CC(C)C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C16H20N2O/c1-11-6-5-7-15(8-11)9-12(2)16(19)18-14(4)10-13(3)17-18/h5-8,10,12H,9H2,1-4H3
InChIKeyYFHCSRCCXOGGRY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.33
Rot. Bonds3

About 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one

1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one (PubChem CID 132543233) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one
PubChem CID132543233
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CC(C)C(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C16H20N2O/c1-11-6-5-7-15(8-11)9-12(2)16(19)18-14(4)10-13(3)17-18/h5-8,10,12H,9H2,1-4H3
InChIKeyYFHCSRCCXOGGRY-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
benzyl N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10066042
(2R)-2-methyl-3-(3-methylphenyl)-1-(4-piperidin-4-ylpiperidin-1-yl)propan-1-one
CID 123472144
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
(3R)-3-methyl-4-(3-methylphenyl)butanoate
CID 6954497
N-[(2S)-1-(3-methylphenyl)-3-oxobutan-2-yl]formamide
CID 174264624
1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one
CID 110408745
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
CID 139473616
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one (CID 132543233) is 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one is Cc1cccc(CC(C)C(=O)n2nc(C)cc2C)c1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one?
The InChIKey is YFHCSRCCXOGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-5-7-15(8-11)9-12(2)16(19)18-14(4)10-13(3)17-18/h5-8,10,12H,9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one?
1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-methyl-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 132543233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).