3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine

C9H14FN3 — CID 139344487

IUPAC3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine
SMILESCC1CNCC(c2cn[nH]c2F)C1
InChIInChI=1S/C9H14FN3/c1-6-2-7(4-11-3-6)8-5-12-13-9(8)10/h5-7,11H,2-4H2,1H3,(H,12,13)
InChIKeyCEJHTWIGLUHVQZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.26
Rot. Bonds1

About 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine

3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine (PubChem CID 139344487) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine.

Molecular Properties

Compound Name3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine
PubChem CID139344487
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine
SMILESCC1CNCC(c2cn[nH]c2F)C1
InChIInChI=1S/C9H14FN3/c1-6-2-7(4-11-3-6)8-5-12-13-9(8)10/h5-7,11H,2-4H2,1H3,(H,12,13)
InChIKeyCEJHTWIGLUHVQZ-UHFFFAOYSA-N
XLogP1.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine?
The IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine (CID 139344487) is 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine.
What is the SMILES notation for 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine?
The canonical SMILES for 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine is CC1CNCC(c2cn[nH]c2F)C1.
What is the InChIKey of 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine?
The InChIKey is CEJHTWIGLUHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-6-2-7(4-11-3-6)8-5-12-13-9(8)10/h5-7,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine?
3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine has a molecular weight of 183.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-pyrazol-4-yl)-5-methylpiperidine is sourced from PubChem (CID 139344487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).