2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine

C17H14F3N5S — CID 155738715

IUPAC2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCSc1nn2cccnc2c1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C17H14F3N5S/c1-3-26-16-13(14-21-7-4-8-25(14)23-16)15-22-11-9-10(17(18,19)20)5-6-12(11)24(15)2/h4-9H,3H2,1-2H3
InChIKeyZVURTNIQHUXEBT-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.41
Rot. Bonds3

About 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine

2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 155738715) has the molecular formula C17H14F3N5S and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID155738715
Molecular FormulaC17H14F3N5S
Molecular Weight377.40 g/mol
Exact Mass377.09
IUPAC Name2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCSc1nn2cccnc2c1-c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C17H14F3N5S/c1-3-26-16-13(14-21-7-4-8-25(14)23-16)15-22-11-9-10(17(18,19)20)5-6-12(11)24(15)2/h4-9H,3H2,1-2H3
InChIKeyZVURTNIQHUXEBT-UHFFFAOYSA-N
XLogP4.41
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine (CID 155738715) is 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine is CCSc1nn2cccnc2c1-c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZVURTNIQHUXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5S/c1-3-26-16-13(14-21-7-4-8-25(14)23-16)15-22-11-9-10(17(18,19)20)5-6-12(11)24(15)2/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine?
2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 377.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155738715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).