5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12FN3OS — CID 24952047

IUPAC5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CSc3ccccc3F)cc(=O)n2[nH]1
InChIInChI=1S/C14H12FN3OS/c1-9-6-13-16-10(7-14(19)18(13)17-9)8-20-12-5-3-2-4-11(12)15/h2-7,17H,8H2,1H3
InChIKeySOQUZHIPIWEPEG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.76
Rot. Bonds3

About 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24952047) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24952047
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CSc3ccccc3F)cc(=O)n2[nH]1
InChIInChI=1S/C14H12FN3OS/c1-9-6-13-16-10(7-14(19)18(13)17-9)8-20-12-5-3-2-4-11(12)15/h2-7,17H,8H2,1H3
InChIKeySOQUZHIPIWEPEG-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-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-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24952047) is 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CSc3ccccc3F)cc(=O)n2[nH]1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SOQUZHIPIWEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-9-6-13-16-10(7-14(19)18(13)17-9)8-20-12-5-3-2-4-11(12)15/h2-7,17H,8H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 289.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24952047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).