5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine

C8H10FN3 — CID 139343409

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1[nH]ncc1C1=CCCNC1
InChIInChI=1S/C8H10FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h2,5,10H,1,3-4H2,(H,11,12)
InChIKeyMORYMGMWIOKRGY-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.93
Rot. Bonds1

About 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine

5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 139343409) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID139343409
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESFc1[nH]ncc1C1=CCCNC1
InChIInChI=1S/C8H10FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h2,5,10H,1,3-4H2,(H,11,12)
InChIKeyMORYMGMWIOKRGY-UHFFFAOYSA-N
XLogP0.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 139343409) is 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine is Fc1[nH]ncc1C1=CCCNC1.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is MORYMGMWIOKRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h2,5,10H,1,3-4H2,(H,11,12).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 167.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 139343409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).