pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone

C13H13F3N4O2 — CID 162629323

IUPACpyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cnn2cccnc12)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)22-9-2-6-19(7-3-9)12(21)10-8-18-20-5-1-4-17-11(10)20/h1,4-5,8-9H,2-3,6-7H2
InChIKeyVBUYZMDUIHRESN-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.87
Rot. Bonds2

About pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone

pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone (PubChem CID 162629323) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
PubChem CID162629323
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Namepyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cnn2cccnc12)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)22-9-2-6-19(7-3-9)12(21)10-8-18-20-5-1-4-17-11(10)20/h1,4-5,8-9H,2-3,6-7H2
InChIKeyVBUYZMDUIHRESN-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone (CID 162629323) is pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone is O=C(c1cnn2cccnc12)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The InChIKey is VBUYZMDUIHRESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c14-13(15,16)22-9-2-6-19(7-3-9)12(21)10-8-18-20-5-1-4-17-11(10)20/h1,4-5,8-9H,2-3,6-7H2.
What are the key properties of pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone has a molecular weight of 314.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-3-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 162629323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).