ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C16H17F3N4O — CID 142362542

IUPACethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12
InChIInChI=1S/C14H11F3N4O.C2H6/c1-9-6-19-21-5-4-11(20-13(9)21)10-2-3-12(18-7-10)22-8-14(15,16)17;1-2/h2-7H,8H2,1H3;1-2H3
InChIKeyIJFOWGRLLJHCGU-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.07
Rot. Bonds3

About ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 142362542) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID142362542
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Nameethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12
InChIInChI=1S/C14H11F3N4O.C2H6/c1-9-6-19-21-5-4-11(20-13(9)21)10-2-3-12(18-7-10)22-8-14(15,16)17;1-2/h2-7H,8H2,1H3;1-2H3
InChIKeyIJFOWGRLLJHCGU-UHFFFAOYSA-N
XLogP4.07
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 142362542) is ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is CC.Cc1cnn2ccc(-c3ccc(OCC(F)(F)F)nc3)nc12.
What is the InChIKey of ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IJFOWGRLLJHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O.C2H6/c1-9-6-19-21-5-4-11(20-13(9)21)10-2-3-12(18-7-10)22-8-14(15,16)17;1-2/h2-7H,8H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 338.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).