[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C11H16FN3O3S — CID 168675199

IUPAC[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)n1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H16FN3O3S/c1-8(2)15-6-10(4-13-15)14-5-9(3-11(14)16)7-19(12,17)18/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyRSVHXSCPYHKVBN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.12
Rot. Bonds4

About [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675199) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675199
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)n1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H16FN3O3S/c1-8(2)15-6-10(4-13-15)14-5-9(3-11(14)16)7-19(12,17)18/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyRSVHXSCPYHKVBN-UHFFFAOYSA-N
XLogP1.12
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675199) is [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)n1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is RSVHXSCPYHKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8(2)15-6-10(4-13-15)14-5-9(3-11(14)16)7-19(12,17)18/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 289.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).