5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C15H16F3N3 — CID 167838263

IUPAC5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)Cc1ccc(CN2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)7-11-1-3-12(4-2-11)9-21-6-5-14-13(10-21)8-19-20-14/h1-4,8H,5-7,9-10H2,(H,19,20)
InChIKeyXFVOLFLVXQKUBG-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.07
Rot. Bonds3

About 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 167838263) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID167838263
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)Cc1ccc(CN2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H16F3N3/c16-15(17,18)7-11-1-3-12(4-2-11)9-21-6-5-14-13(10-21)8-19-20-14/h1-4,8H,5-7,9-10H2,(H,19,20)
InChIKeyXFVOLFLVXQKUBG-UHFFFAOYSA-N
XLogP3.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 167838263) is 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is FC(F)(F)Cc1ccc(CN2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is XFVOLFLVXQKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)7-11-1-3-12(4-2-11)9-21-6-5-14-13(10-21)8-19-20-14/h1-4,8H,5-7,9-10H2,(H,19,20).
What are the key properties of 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 295.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 167838263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).