3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine

C10H16FN3 — CID 84733477

IUPAC3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESFCc1ccnn1CC1CCCNC1
InChIInChI=1S/C10H16FN3/c11-6-10-3-5-13-14(10)8-9-2-1-4-12-7-9/h3,5,9,12H,1-2,4,6-8H2
InChIKeyWBJKYVCQINEIMR-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.35
Rot. Bonds3

About 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine

3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine (PubChem CID 84733477) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine
PubChem CID84733477
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine
SMILESFCc1ccnn1CC1CCCNC1
InChIInChI=1S/C10H16FN3/c11-6-10-3-5-13-14(10)8-9-2-1-4-12-7-9/h3,5,9,12H,1-2,4,6-8H2
InChIKeyWBJKYVCQINEIMR-UHFFFAOYSA-N
XLogP1.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine (CID 84733477) is 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine is FCc1ccnn1CC1CCCNC1.
What is the InChIKey of 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is WBJKYVCQINEIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c11-6-10-3-5-13-14(10)8-9-2-1-4-12-7-9/h3,5,9,12H,1-2,4,6-8H2.
What are the key properties of 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine?
3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 197.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(fluoromethyl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 84733477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).