2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine

C15H17F3N4 — CID 133300594

IUPAC2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESCn1cc(C2CCN(c3ncccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H17F3N4/c1-21-10-12(9-20-21)11-4-7-22(8-5-11)14-13(15(16,17)18)3-2-6-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyIGQKRJIKMRMQHH-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.22
Rot. Bonds2

About 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 133300594) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID133300594
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESCn1cc(C2CCN(c3ncccc3C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H17F3N4/c1-21-10-12(9-20-21)11-4-7-22(8-5-11)14-13(15(16,17)18)3-2-6-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyIGQKRJIKMRMQHH-UHFFFAOYSA-N
XLogP3.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine (CID 133300594) is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine is Cn1cc(C2CCN(c3ncccc3C(F)(F)F)CC2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is IGQKRJIKMRMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-21-10-12(9-20-21)11-4-7-22(8-5-11)14-13(15(16,17)18)3-2-6-19-14/h2-3,6,9-11H,4-5,7-8H2,1H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine?
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 310.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133300594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).