5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine

C17H19F5N4 — CID 118559761

IUPAC5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine
SMILESCc1ccn(C2CCN(CC(F)(F)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H19F5N4/c1-12-4-9-26(24-12)14-5-7-25(8-6-14)11-16(18,19)13-2-3-15(23-10-13)17(20,21)22/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyFSCWPDQBWVIUDO-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.03
Rot. Bonds4

About 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine

5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine (PubChem CID 118559761) has the molecular formula C17H19F5N4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine
PubChem CID118559761
Molecular FormulaC17H19F5N4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine
SMILESCc1ccn(C2CCN(CC(F)(F)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H19F5N4/c1-12-4-9-26(24-12)14-5-7-25(8-6-14)11-16(18,19)13-2-3-15(23-10-13)17(20,21)22/h2-4,9-10,14H,5-8,11H2,1H3
InChIKeyFSCWPDQBWVIUDO-UHFFFAOYSA-N
XLogP4.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine (CID 118559761) is 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine is Cc1ccn(C2CCN(CC(F)(F)c3ccc(C(F)(F)F)nc3)CC2)n1.
What is the InChIKey of 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine?
The InChIKey is FSCWPDQBWVIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5N4/c1-12-4-9-26(24-12)14-5-7-25(8-6-14)11-16(18,19)13-2-3-15(23-10-13)17(20,21)22/h2-4,9-10,14H,5-8,11H2,1H3.
What are the key properties of 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine?
5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine has a molecular weight of 374.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118559761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).