3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine

C13H22FN3 — CID 112565387

IUPAC3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1cc(CC(F)C2CCCNC2)n(C)n1
InChIInChI=1S/C13H22FN3/c1-3-11-7-12(17(2)16-11)8-13(14)10-5-4-6-15-9-10/h7,10,13,15H,3-6,8-9H2,1-2H3
InChIKeyPAJPPYGFTIQRHC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.86
Rot. Bonds4

About 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine

3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine (PubChem CID 112565387) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
PubChem CID112565387
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine
SMILESCCc1cc(CC(F)C2CCCNC2)n(C)n1
InChIInChI=1S/C13H22FN3/c1-3-11-7-12(17(2)16-11)8-13(14)10-5-4-6-15-9-10/h7,10,13,15H,3-6,8-9H2,1-2H3
InChIKeyPAJPPYGFTIQRHC-UHFFFAOYSA-N
XLogP1.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,3-diethylpyrazol-5-yl)-1-fluoroethyl]piperidine
CID 112565553
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028
3-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 112565371
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 116756479
3-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 112565336
2-[3-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropyl]piperidine
CID 112745787
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)piperidine
CID 106779970
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
CID 112565416
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 115813447
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine (CID 112565387) is 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine is CCc1cc(CC(F)C2CCCNC2)n(C)n1.
What is the InChIKey of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
The InChIKey is PAJPPYGFTIQRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-3-11-7-12(17(2)16-11)8-13(14)10-5-4-6-15-9-10/h7,10,13,15H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine?
3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine has a molecular weight of 239.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112565387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).