2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone

C15H18N2OS — CID 66064578

IUPAC2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-3-10-17-14(8-9-16-17)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyALDWCDGJXMYNJY-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone

2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 66064578) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID66064578
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-3-10-17-14(8-9-16-17)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyALDWCDGJXMYNJY-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylpyrazole-3-carboxylic acid
CID 7017775
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone (CID 66064578) is 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is ALDWCDGJXMYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-10-17-14(8-9-16-17)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone?
2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 66064578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).