[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C20H17F2N3O3S — CID 90592962

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N3O3S/c1-24-19(10-18(23-24)13-2-4-14(21)5-3-13)20(26)25-11-17(12-25)29(27,28)16-8-6-15(22)7-9-16/h2-10,17H,11-12H2,1H3
InChIKeyFZQWTNIOQPPFSZ-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.66
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 90592962) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID90592962
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N3O3S/c1-24-19(10-18(23-24)13-2-4-14(21)5-3-13)20(26)25-11-17(12-25)29(27,28)16-8-6-15(22)7-9-16/h2-10,17H,11-12H2,1H3
InChIKeyFZQWTNIOQPPFSZ-UHFFFAOYSA-N
XLogP2.66
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 90592962) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is FZQWTNIOQPPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c1-24-19(10-18(23-24)13-2-4-14(21)5-3-13)20(26)25-11-17(12-25)29(27,28)16-8-6-15(22)7-9-16/h2-10,17H,11-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 417.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 90592962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).