5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride

C10H14FN3O3S — CID 168713141

IUPAC5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(Cn1cccn1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/c1-8(6-13-4-2-3-12-13)14-7-9(5-10(14)15)18(11,16)17/h2-4,8-9H,5-7H2,1H3
InChIKeyBXMHMFVOAFASCC-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.17
Rot. Bonds4

About 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713141) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713141
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(Cn1cccn1)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H14FN3O3S/c1-8(6-13-4-2-3-12-13)14-7-9(5-10(14)15)18(11,16)17/h2-4,8-9H,5-7H2,1H3
InChIKeyBXMHMFVOAFASCC-UHFFFAOYSA-N
XLogP0.17
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.17
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-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride (CID 168713141) is 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride is CC(Cn1cccn1)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is BXMHMFVOAFASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-8(6-13-4-2-3-12-13)14-7-9(5-10(14)15)18(11,16)17/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.30 g/mol, XLogP of 0.17, 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-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).