3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C15H15FN4S — CID 143836948

IUPAC3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(C)nc2c1Sc1ccc(F)cc1
InChIInChI=1S/C15H15FN4S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)21-12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)
InChIKeyYYEUUPVJCJFDQL-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.68
Rot. Bonds3

About 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 143836948) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID143836948
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(C)cc(C)nc2c1Sc1ccc(F)cc1
InChIInChI=1S/C15H15FN4S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)21-12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)
InChIKeyYYEUUPVJCJFDQL-UHFFFAOYSA-N
XLogP3.68
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine 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 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 143836948) is 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(C)nc2c1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YYEUUPVJCJFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)21-12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 143836948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).