1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

C18H18FN3O3S — CID 5193025

IUPAC1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C18H18FN3O3S/c19-14-3-1-4-15(11-14)26(23,24)22-8-6-13(7-9-22)16-12-17(21-20-16)18-5-2-10-25-18/h1-5,10-13H,6-9H2,(H,20,21)
InChIKeyVVYZCFXIKQXWPW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine

1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (PubChem CID 5193025) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
PubChem CID5193025
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1
InChIInChI=1S/C18H18FN3O3S/c19-14-3-1-4-15(11-14)26(23,24)22-8-6-13(7-9-22)16-12-17(21-20-16)18-5-2-10-25-18/h1-5,10-13H,6-9H2,(H,20,21)
InChIKeyVVYZCFXIKQXWPW-UHFFFAOYSA-N
XLogP3.38
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
2-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}acetonitrile
CID 2764506
5-(3,4-Dimethyl-1H-pyrazol-5-YL)-N-[(5-methylfuran-2-YL)methyl]furan-2-sulfonamide
CID 53075755
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(phenylsulfonyl)piperidin-1-yl)methanone
CID 71808765
1,1,1-trifluoro-3-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}-2-propanol
CID 3753227
4-fluoro-N-(2-((6-(furan-2-yl)pyridazin-3-yl)oxy)ethyl)benzenesulfonamide
CID 18588396
1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-furyl]sulfonyl}indoline
CID 46329418
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}-4-methylpiperazine
CID 50784637
1-{[5-(1H-Pyrazol-5-YL)furan-2-YL]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine
CID 50784639
1-(2-Fluorophenyl)-4-(1-{[5-(1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carbonyl)piperazine
CID 50784768
N-(Cyclohexylmethyl)-1-{[5-(1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carboxamide
CID 50786936

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine (CID 5193025) is 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is O=S(=O)(c1cccc(F)c1)N1CCC(c2cc(-c3ccco3)n[nH]2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is VVYZCFXIKQXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-14-3-1-4-15(11-14)26(23,24)22-8-6-13(7-9-22)16-12-17(21-20-16)18-5-2-10-25-18/h1-5,10-13H,6-9H2,(H,20,21).
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine?
1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 375.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 5193025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).