4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

C21H21F3N4 — CID 22037370

IUPAC4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(c2[nH]nc(-c3cccc(C(F)(F)F)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H21F3N4/c1-28-11-7-15(8-12-28)19-18(14-5-9-25-10-6-14)20(27-26-19)16-3-2-4-17(13-16)21(22,23)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,26,27)
InChIKeyOCCAGIJVJIBTPH-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.97
Rot. Bonds3

About 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine

4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 22037370) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
PubChem CID22037370
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(c2[nH]nc(-c3cccc(C(F)(F)F)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H21F3N4/c1-28-11-7-15(8-12-28)19-18(14-5-9-25-10-6-14)20(27-26-19)16-3-2-4-17(13-16)21(22,23)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,26,27)
InChIKeyOCCAGIJVJIBTPH-UHFFFAOYSA-N
XLogP4.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine (CID 22037370) is 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is CN1CCC(c2[nH]nc(-c3cccc(C(F)(F)F)c3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is OCCAGIJVJIBTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c1-28-11-7-15(8-12-28)19-18(14-5-9-25-10-6-14)20(27-26-19)16-3-2-4-17(13-16)21(22,23)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,26,27).
What are the key properties of 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine?
4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 386.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).