2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide

C20H21N3O2S — CID 2746418

IUPAC2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(C)c(Oc3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O2S/c1-14-20(25-17-9-5-4-6-10-17)15(2)23(22-14)13-19(24)21-16-8-7-11-18(12-16)26-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyMZVLQZQRQCDSSV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.65
Rot. Bonds6

About 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2746418) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2746418
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(C)c(Oc3ccccc3)c2C)c1
InChIInChI=1S/C20H21N3O2S/c1-14-20(25-17-9-5-4-6-10-17)15(2)23(22-14)13-19(24)21-16-8-7-11-18(12-16)26-3/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyMZVLQZQRQCDSSV-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 2746418) is 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2nc(C)c(Oc3ccccc3)c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is MZVLQZQRQCDSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-20(25-17-9-5-4-6-10-17)15(2)23(22-14)13-19(24)21-16-8-7-11-18(12-16)26-3/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2746418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).