5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H15F3N4 — CID 141315181

IUPAC5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCCN3)cc2n1
InChIInChI=1S/C13H15F3N4/c1-8-6-11(13(14,15)16)20-12(18-8)7-10(19-20)9-4-2-3-5-17-9/h6-7,9,17H,2-5H2,1H3
InChIKeyCVVBDFSNQYQIBF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.87
Rot. Bonds1

About 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 141315181) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID141315181
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCCN3)cc2n1
InChIInChI=1S/C13H15F3N4/c1-8-6-11(13(14,15)16)20-12(18-8)7-10(19-20)9-4-2-3-5-17-9/h6-7,9,17H,2-5H2,1H3
InChIKeyCVVBDFSNQYQIBF-UHFFFAOYSA-N
XLogP2.87
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 141315181) is 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C3CCCCN3)cc2n1.
What is the InChIKey of 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CVVBDFSNQYQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-8-6-11(13(14,15)16)20-12(18-8)7-10(19-20)9-4-2-3-5-17-9/h6-7,9,17H,2-5H2,1H3.
What are the key properties of 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 284.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141315181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).