1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone

C19H18N2O2S — CID 157218048

IUPAC1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
SMILESCOc1ccccc1C(=O)CSC1=NN=C(c2ccc(C)cc2)C1
InChIInChI=1S/C19H18N2O2S/c1-13-7-9-14(10-8-13)16-11-19(21-20-16)24-12-17(22)15-5-3-4-6-18(15)23-2/h3-10H,11-12H2,1-2H3
InChIKeyASQPDOHDHKNEJQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.13
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone

1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone (PubChem CID 157218048) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
PubChem CID157218048
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone
SMILESCOc1ccccc1C(=O)CSC1=NN=C(c2ccc(C)cc2)C1
InChIInChI=1S/C19H18N2O2S/c1-13-7-9-14(10-8-13)16-11-19(21-20-16)24-12-17(22)15-5-3-4-6-18(15)23-2/h3-10H,11-12H2,1-2H3
InChIKeyASQPDOHDHKNEJQ-UHFFFAOYSA-N
XLogP4.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(2-methoxyphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16538072
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 7632972
1-(2-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078961
1-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2340789
1-[[5-(3-methoxy-2-phenylmethoxyphenyl)-4H-pyrazol-3-yl]sulfanyl]propan-2-one
CID 157143072
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 16603409
1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7580384
1-(2,6-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 116810019
2-(2-hydroxyethylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 43801820

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone (CID 157218048) is 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone is COc1ccccc1C(=O)CSC1=NN=C(c2ccc(C)cc2)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone?
The InChIKey is ASQPDOHDHKNEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-7-9-14(10-8-13)16-11-19(21-20-16)24-12-17(22)15-5-3-4-6-18(15)23-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone?
1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone has a molecular weight of 338.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-4H-pyrazol-3-yl]sulfanyl]ethanone is sourced from PubChem (CID 157218048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).