5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C13H20F3N5 — CID 154795197

IUPAC5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(CCN1CCNCC1)CC2
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-10-9-21(4-1-11(10)18-19-12)8-7-20-5-2-17-3-6-20/h17H,1-9H2,(H,18,19)
InChIKeyVLNJJIPUUJHEQJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.69
Rot. Bonds3

About 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 154795197) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID154795197
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(CCN1CCNCC1)CC2
InChIInChI=1S/C13H20F3N5/c14-13(15,16)12-10-9-21(4-1-11(10)18-19-12)8-7-20-5-2-17-3-6-20/h17H,1-9H2,(H,18,19)
InChIKeyVLNJJIPUUJHEQJ-UHFFFAOYSA-N
XLogP0.69
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 154795197) is 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)c1n[nH]c2c1CN(CCN1CCNCC1)CC2.
What is the InChIKey of 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is VLNJJIPUUJHEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)12-10-9-21(4-1-11(10)18-19-12)8-7-20-5-2-17-3-6-20/h17H,1-9H2,(H,18,19).
What are the key properties of 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 303.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 154795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).