1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine

C16H20FN3 — CID 75204033

IUPAC1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19)
InChIKeyYUOLEJICQTVICH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine

1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine (PubChem CID 75204033) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
PubChem CID75204033
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
SMILESFc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19)
InChIKeyYUOLEJICQTVICH-UHFFFAOYSA-N
XLogP3.24
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
CID 118289528
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
CID 105474025
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
CID 75204034
4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74246201
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
[(3S,5R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719647
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
4-(4-fluorophenyl)-5-(2-piperidin-1-ylethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 21394603

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine (CID 75204033) is 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine is Fc1ccc(-c2[nH]ncc2CCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
The InChIKey is YUOLEJICQTVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c17-15-6-4-13(5-7-15)16-14(12-18-19-16)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,18,19).
What are the key properties of 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine?
1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine has a molecular weight of 273.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine is sourced from PubChem (CID 75204033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).