3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H15F3N4 — CID 174285975

IUPAC3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2ncc(CC3CCNCC3)c2n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-3-6-20-12(19-11)10(8-18-20)7-9-1-4-17-5-2-9/h3,6,8-9,17H,1-2,4-5,7H2
InChIKeyMMCTZRFHKNHULE-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.29
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 174285975) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID174285975
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccn2ncc(CC3CCNCC3)c2n1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-3-6-20-12(19-11)10(8-18-20)7-9-1-4-17-5-2-9/h3,6,8-9,17H,1-2,4-5,7H2
InChIKeyMMCTZRFHKNHULE-UHFFFAOYSA-N
XLogP2.29
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 174285975) is 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccn2ncc(CC3CCNCC3)c2n1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MMCTZRFHKNHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)11-3-6-20-12(19-11)10(8-18-20)7-9-1-4-17-5-2-9/h3,6,8-9,17H,1-2,4-5,7H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 284.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 174285975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).