2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

C20H20FN3OS — CID 9426248

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20FN3OS/c1-13-11-16(21)9-10-18(13)22-19(25)12-26-20-14(2)23-24(15(20)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyIAMQQLANDOCPSJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.67
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 9426248) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID9426248
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C20H20FN3OS/c1-13-11-16(21)9-10-18(13)22-19(25)12-26-20-14(2)23-24(15(20)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyIAMQQLANDOCPSJ-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-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (CID 9426248) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)CSc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is IAMQQLANDOCPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-11-16(21)9-10-18(13)22-19(25)12-26-20-14(2)23-24(15(20)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)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-phenylpyrazol-4-yl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 9426248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).