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

C8H12FN3 — CID 139343838

IUPAC3-(5-fluoro-1H-pyrazol-4-yl)piperidine
SMILESFc1[nH]ncc1C1CCCNC1
InChIInChI=1S/C8H12FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,11,12)
InChIKeyCHEUGGNXPNRNSK-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.02
Rot. Bonds1

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

3-(5-fluoro-1H-pyrazol-4-yl)piperidine (PubChem CID 139343838) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(5-fluoro-1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(5-fluoro-1H-pyrazol-4-yl)piperidine
PubChem CID139343838
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name3-(5-fluoro-1H-pyrazol-4-yl)piperidine
SMILESFc1[nH]ncc1C1CCCNC1
InChIInChI=1S/C8H12FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,11,12)
InChIKeyCHEUGGNXPNRNSK-UHFFFAOYSA-N
XLogP1.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-Hydroxypyrazol-4-yl)piperidine
CID 46203882
3-(1H-pyrazol-4-yl)piperidine
CID 53612880
4-(1H-Pyrazol-4-yl)piperidine
CID 28605195
2-(1H-pyrazol-4-yl)piperidine
CID 54593248
4-(pyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 67187229
1-methyl-4-(1H-pyrazol-4-yl)Piperidine
CID 83404347
3-(1H-pyrazol-4-yl)piperidine dihydrochloride
CID 126851836
4-(Pyrrolidin-3-yl)-1H-pyrazole
CID 67187230
4-(1,1,1-trifluoro-3-methylpentan-2-yl)-1H-pyrazole
CID 118220537
3-Fluoro-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 139344016
3-(3-Fluoro-1H-pyrazol-4-yl)-5-methylpiperidine
CID 139344487
(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 140925045

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)piperidine?
The IUPAC name of 3-(5-fluoro-1H-pyrazol-4-yl)piperidine (CID 139343838) is 3-(5-fluoro-1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 3-(5-fluoro-1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 3-(5-fluoro-1H-pyrazol-4-yl)piperidine is Fc1[nH]ncc1C1CCCNC1.
What is the InChIKey of 3-(5-fluoro-1H-pyrazol-4-yl)piperidine?
The InChIKey is CHEUGGNXPNRNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h5-6,10H,1-4H2,(H,11,12).
What are the key properties of 3-(5-fluoro-1H-pyrazol-4-yl)piperidine?
3-(5-fluoro-1H-pyrazol-4-yl)piperidine has a molecular weight of 169.20 g/mol, XLogP of 1.02, 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)piperidine is sourced from PubChem (CID 139343838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).