1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine

C13H20F3N5 — CID 143767055

IUPAC1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine
SMILESCN1CC(N)CC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1
InChIInChI=1S/C13H20F3N5/c1-20-5-8(17)4-9(6-20)21-3-2-11-10(7-21)12(19-18-11)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyZUHNBUWXPZCSQM-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.82
Rot. Bonds1

About 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine

1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine (PubChem CID 143767055) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine
PubChem CID143767055
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine
SMILESCN1CC(N)CC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1
InChIInChI=1S/C13H20F3N5/c1-20-5-8(17)4-9(6-20)21-3-2-11-10(7-21)12(19-18-11)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyZUHNBUWXPZCSQM-UHFFFAOYSA-N
XLogP0.82
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine?
The IUPAC name of 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine (CID 143767055) is 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine?
The canonical SMILES for 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine is CN1CC(N)CC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1.
What is the InChIKey of 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine?
The InChIKey is ZUHNBUWXPZCSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-20-5-8(17)4-9(6-20)21-3-2-11-10(7-21)12(19-18-11)13(14,15)16/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine?
1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidin-3-amine is sourced from PubChem (CID 143767055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).