7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine

C15H12F3N3OS — CID 134543465

IUPAC7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCSc1nc(-c2ccc(OC(F)(F)F)cc2C)cc2ccnn12
InChIInChI=1S/C15H12F3N3OS/c1-9-7-11(22-15(16,17)18)3-4-12(9)13-8-10-5-6-19-21(10)14(20-13)23-2/h3-8H,1-2H3
InChIKeyLDQPQBOMQVMAJO-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.33
Rot. Bonds3

About 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine

7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (PubChem CID 134543465) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
PubChem CID134543465
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
SMILESCSc1nc(-c2ccc(OC(F)(F)F)cc2C)cc2ccnn12
InChIInChI=1S/C15H12F3N3OS/c1-9-7-11(22-15(16,17)18)3-4-12(9)13-8-10-5-6-19-21(10)14(20-13)23-2/h3-8H,1-2H3
InChIKeyLDQPQBOMQVMAJO-UHFFFAOYSA-N
XLogP4.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The IUPAC name of 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine (CID 134543465) is 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is CSc1nc(-c2ccc(OC(F)(F)F)cc2C)cc2ccnn12.
What is the InChIKey of 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
The InChIKey is LDQPQBOMQVMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-9-7-11(22-15(16,17)18)3-4-12(9)13-8-10-5-6-19-21(10)14(20-13)23-2/h3-8H,1-2H3.
What are the key properties of 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine?
7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine has a molecular weight of 339.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 134543465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).