4-[5-(fluoromethyl)pyrazol-1-yl]piperidine

C9H14FN3 — CID 84732534

IUPAC4-[5-(fluoromethyl)pyrazol-1-yl]piperidine
SMILESFCc1ccnn1C1CCNCC1
InChIInChI=1S/C9H14FN3/c10-7-9-3-6-12-13(9)8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2
InChIKeyHCQRYGWOHPZXNG-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.28
Rot. Bonds2

About 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine

4-[5-(fluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 84732534) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-(fluoromethyl)pyrazol-1-yl]piperidine
PubChem CID84732534
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-[5-(fluoromethyl)pyrazol-1-yl]piperidine
SMILESFCc1ccnn1C1CCNCC1
InChIInChI=1S/C9H14FN3/c10-7-9-3-6-12-13(9)8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2
InChIKeyHCQRYGWOHPZXNG-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine (CID 84732534) is 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine is FCc1ccnn1C1CCNCC1.
What is the InChIKey of 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is HCQRYGWOHPZXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-7-9-3-6-12-13(9)8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2.
What are the key properties of 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine?
4-[5-(fluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 183.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(fluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 84732534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).