4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid

C17H21F3N4O2 — CID 71926934

IUPAC4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C2CCCN(Cc3ccncc3)C2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4.C2HF3O2/c1-12-9-15(18-17-12)14-3-2-8-19(11-14)10-13-4-6-16-7-5-13;3-2(4,5)1(6)7/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,17,18);(H,6,7)
InChIKeyZAPCIWUOASWHNR-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.13
Rot. Bonds3

About 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid

4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 71926934) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
PubChem CID71926934
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1cc(C2CCCN(Cc3ccncc3)C2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4.C2HF3O2/c1-12-9-15(18-17-12)14-3-2-8-19(11-14)10-13-4-6-16-7-5-13;3-2(4,5)1(6)7/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,17,18);(H,6,7)
InChIKeyZAPCIWUOASWHNR-UHFFFAOYSA-N
XLogP3.13
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid (CID 71926934) is 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid is Cc1cc(C2CCCN(Cc3ccncc3)C2)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ZAPCIWUOASWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.C2HF3O2/c1-12-9-15(18-17-12)14-3-2-8-19(11-14)10-13-4-6-16-7-5-13;3-2(4,5)1(6)7/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,17,18);(H,6,7).
What are the key properties of 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid?
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 370.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71926934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).