4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine

C16H19ClFN3O — CID 164914588

IUPAC4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine
SMILESC[C@@H](Oc1ccnn1C1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H19ClFN3O/c1-11(14-3-2-12(17)10-15(14)18)22-16-6-9-20-21(16)13-4-7-19-8-5-13/h2-3,6,9-11,13,19H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyCKZPIFQBUMFCHJ-LLVKDONJSA-N
MW323.80 g/mol
LogP3.74
Rot. Bonds4

About 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine

4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine (PubChem CID 164914588) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine
PubChem CID164914588
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC Name4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine
SMILESC[C@@H](Oc1ccnn1C1CCNCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H19ClFN3O/c1-11(14-3-2-12(17)10-15(14)18)22-16-6-9-20-21(16)13-4-7-19-8-5-13/h2-3,6,9-11,13,19H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyCKZPIFQBUMFCHJ-LLVKDONJSA-N
XLogP3.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine (CID 164914588) is 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine is C[C@@H](Oc1ccnn1C1CCNCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine?
The InChIKey is CKZPIFQBUMFCHJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-11(14-3-2-12(17)10-15(14)18)22-16-6-9-20-21(16)13-4-7-19-8-5-13/h2-3,6,9-11,13,19H,4-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine?
4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine has a molecular weight of 323.80 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R)-1-(4-chloro-2-fluorophenyl)ethoxy]pyrazol-1-yl]piperidine is sourced from PubChem (CID 164914588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).