4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

C16H20FN3O3S — CID 8668012

IUPAC4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-12-16(24(21,22)19-7-9-23-10-8-19)13(2)20(18-12)11-14-5-3-4-6-15(14)17/h3-6H,7-11H2,1-2H3
InChIKeyKRCWWMMJYLZHSI-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.71
Rot. Bonds4

About 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine

4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (PubChem CID 8668012) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
PubChem CID8668012
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(Cc2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-12-16(24(21,22)19-7-9-23-10-8-19)13(2)20(18-12)11-14-5-3-4-6-15(14)17/h3-6H,7-11H2,1-2H3
InChIKeyKRCWWMMJYLZHSI-UHFFFAOYSA-N
XLogP1.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine (CID 8668012) is 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is Cc1nn(Cc2ccccc2F)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
The InChIKey is KRCWWMMJYLZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-12-16(24(21,22)19-7-9-23-10-8-19)13(2)20(18-12)11-14-5-3-4-6-15(14)17/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine?
4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine has a molecular weight of 353.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 8668012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).