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

C14H14F3N3 — CID 17480733

IUPAC5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-11-9-20(7-6-12(11)18-19-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,19)
InChIKeyHTAMGIUAFQRWQU-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.99
Rot. Bonds2

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

5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 17480733) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID17480733
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFC(F)(F)c1n[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-11-9-20(7-6-12(11)18-19-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,19)
InChIKeyHTAMGIUAFQRWQU-UHFFFAOYSA-N
XLogP2.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 17480733) is 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is FC(F)(F)c1n[nH]c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HTAMGIUAFQRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13-11-9-20(7-6-12(11)18-19-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,19).
What are the key properties of 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 281.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 17480733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).