2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

C15H17F3N4 — CID 133341921

IUPAC2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESCn1cc(CC2CCN(c3cccc(C(F)(F)F)n3)C2)cn1
InChIInChI=1S/C15H17F3N4/c1-21-9-12(8-19-21)7-11-5-6-22(10-11)14-4-2-3-13(20-14)15(16,17)18/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyVTBHTVANHRZVGM-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.90
Rot. Bonds3

About 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 133341921) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID133341921
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESCn1cc(CC2CCN(c3cccc(C(F)(F)F)n3)C2)cn1
InChIInChI=1S/C15H17F3N4/c1-21-9-12(8-19-21)7-11-5-6-22(10-11)14-4-2-3-13(20-14)15(16,17)18/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyVTBHTVANHRZVGM-UHFFFAOYSA-N
XLogP2.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (CID 133341921) is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is Cn1cc(CC2CCN(c3cccc(C(F)(F)F)n3)C2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is VTBHTVANHRZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-21-9-12(8-19-21)7-11-5-6-22(10-11)14-4-2-3-13(20-14)15(16,17)18/h2-4,8-9,11H,5-7,10H2,1H3.
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 310.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133341921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).