2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide

C20H20FN3OS — CID 162699512

IUPAC2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(C)c(SCC(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3OS/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)26-12-19(25)22-17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyGGULDYAMSDNQOM-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.67
Rot. Bonds5

About 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 162699512) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID162699512
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(-n2nc(C)c(SCC(=O)Nc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3OS/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)26-12-19(25)22-17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyGGULDYAMSDNQOM-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 162699512) is 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide is Cc1ccc(-n2nc(C)c(SCC(=O)Nc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is GGULDYAMSDNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-4-10-18(11-5-13)24-15(3)20(14(2)23-24)26-12-19(25)22-17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 162699512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).