1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole

C16H20FN3O2S — CID 56802785

IUPAC1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole
SMILESCc1cnn(C2CN(CCCS(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H20FN3O2S/c1-13-9-18-20(10-13)15-11-19(12-15)7-2-8-23(21,22)16-5-3-14(17)4-6-16/h3-6,9-10,15H,2,7-8,11-12H2,1H3
InChIKeyRQJNWMVQUYTLLF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.05
Rot. Bonds6

About 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole

1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole (PubChem CID 56802785) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole
PubChem CID56802785
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole
SMILESCc1cnn(C2CN(CCCS(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H20FN3O2S/c1-13-9-18-20(10-13)15-11-19(12-15)7-2-8-23(21,22)16-5-3-14(17)4-6-16/h3-6,9-10,15H,2,7-8,11-12H2,1H3
InChIKeyRQJNWMVQUYTLLF-UHFFFAOYSA-N
XLogP2.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole (CID 56802785) is 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole is Cc1cnn(C2CN(CCCS(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole?
The InChIKey is RQJNWMVQUYTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-13-9-18-20(10-13)15-11-19(12-15)7-2-8-23(21,22)16-5-3-14(17)4-6-16/h3-6,9-10,15H,2,7-8,11-12H2,1H3.
What are the key properties of 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole?
1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole has a molecular weight of 337.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole is sourced from PubChem (CID 56802785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).