2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide

C21H18N4OS — CID 3329295

IUPAC2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C21H18N4OS/c1-15-12-20(27-14-19(26)24-17-10-6-3-7-11-17)25-21(23-15)18(13-22-25)16-8-4-2-5-9-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyXKWPJARMSWSIPD-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.44
Rot. Bonds5

About 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide

2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide (PubChem CID 3329295) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide
PubChem CID3329295
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C21H18N4OS/c1-15-12-20(27-14-19(26)24-17-10-6-3-7-11-17)25-21(23-15)18(13-22-25)16-8-4-2-5-9-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyXKWPJARMSWSIPD-UHFFFAOYSA-N
XLogP4.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide (CID 3329295) is 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide is Cc1cc(SCC(=O)Nc2ccccc2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide?
The InChIKey is XKWPJARMSWSIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-12-20(27-14-19(26)24-17-10-6-3-7-11-17)25-21(23-15)18(13-22-25)16-8-4-2-5-9-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide?
2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide has a molecular weight of 374.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 3329295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).