6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C13H13F2N5S — CID 79274577

IUPAC6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1ccccc1SC(F)F
InChIInChI=1S/C13H13F2N5S/c1-7-10-11(19(2)18-7)20(13(16)17-10)8-5-3-4-6-9(8)21-12(14)15/h3-6,12H,1-2H3,(H2,16,17)
InChIKeyICUHXXYXLUFBIR-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.96
Rot. Bonds3

About 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79274577) has the molecular formula C13H13F2N5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79274577
Molecular FormulaC13H13F2N5S
Molecular Weight309.34 g/mol
Exact Mass309.09
IUPAC Name6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1ccccc1SC(F)F
InChIInChI=1S/C13H13F2N5S/c1-7-10-11(19(2)18-7)20(13(16)17-10)8-5-3-4-6-9(8)21-12(14)15/h3-6,12H,1-2H3,(H2,16,17)
InChIKeyICUHXXYXLUFBIR-UHFFFAOYSA-N
XLogP2.96
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79274577) is 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2-c1ccccc1SC(F)F.
What is the InChIKey of 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ICUHXXYXLUFBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5S/c1-7-10-11(19(2)18-7)20(13(16)17-10)8-5-3-4-6-9(8)21-12(14)15/h3-6,12H,1-2H3,(H2,16,17).
What are the key properties of 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 309.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethylsulfanyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79274577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).