5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H15F2N3OS — CID 24952759

IUPAC5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2nc(CSc3cccc(F)c3F)cc(=O)n2[nH]1
InChIInChI=1S/C20H15F2N3OS/c1-12-5-2-3-6-14(12)16-10-18-23-13(9-19(26)25(18)24-16)11-27-17-8-4-7-15(21)20(17)22/h2-10,24H,11H2,1H3
InChIKeyBPRNIQMFTNKMOL-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.57
Rot. Bonds4

About 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24952759) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24952759
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccccc1-c1cc2nc(CSc3cccc(F)c3F)cc(=O)n2[nH]1
InChIInChI=1S/C20H15F2N3OS/c1-12-5-2-3-6-14(12)16-10-18-23-13(9-19(26)25(18)24-16)11-27-17-8-4-7-15(21)20(17)22/h2-10,24H,11H2,1H3
InChIKeyBPRNIQMFTNKMOL-UHFFFAOYSA-N
XLogP4.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one 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 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24952759) is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccccc1-c1cc2nc(CSc3cccc(F)c3F)cc(=O)n2[nH]1.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BPRNIQMFTNKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c1-12-5-2-3-6-14(12)16-10-18-23-13(9-19(26)25(18)24-16)11-27-17-8-4-7-15(21)20(17)22/h2-10,24H,11H2,1H3.
What are the key properties of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 383.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24952759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).