5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline

C17H12FN3S — CID 8850833

IUPAC5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Sc3ccc(F)cc3)c3ccccc3n2n1
InChIInChI=1S/C17H12FN3S/c1-11-10-16-19-17(22-13-8-6-12(18)7-9-13)14-4-2-3-5-15(14)21(16)20-11/h2-10H,1H3
InChIKeyGYFVJBHGGSUZFB-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.48
Rot. Bonds2

About 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline

5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline (PubChem CID 8850833) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline
PubChem CID8850833
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Sc3ccc(F)cc3)c3ccccc3n2n1
InChIInChI=1S/C17H12FN3S/c1-11-10-16-19-17(22-13-8-6-12(18)7-9-13)14-4-2-3-5-15(14)21(16)20-11/h2-10H,1H3
InChIKeyGYFVJBHGGSUZFB-UHFFFAOYSA-N
XLogP4.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline (CID 8850833) is 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline is Cc1cc2nc(Sc3ccc(F)cc3)c3ccccc3n2n1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline?
The InChIKey is GYFVJBHGGSUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c1-11-10-16-19-17(22-13-8-6-12(18)7-9-13)14-4-2-3-5-15(14)21(16)20-11/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline?
5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline has a molecular weight of 309.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).