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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Related Compounds

2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
Dipropyl-(S)-1,2,3,4-tetrahydro-pyrido[1,2-b]indazol-2-yl-amine
CID 10084583
2-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidin-4-yl]pyridine;2,2,2-trifluoroacetic acid
CID 86276247
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806

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).