5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride

C10H14FN3O3S — CID 168713603

IUPAC5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(C)n1cc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-7(2)14-5-8(4-12-14)13-6-9(3-10(13)15)18(11,16)17/h4-5,7,9H,3,6H2,1-2H3
InChIKeyDPAXVWSJUHIAMZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.87
Rot. Bonds3

About 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713603) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168713603
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
SMILESCC(C)n1cc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-7(2)14-5-8(4-12-14)13-6-9(3-10(13)15)18(11,16)17/h4-5,7,9H,3,6H2,1-2H3
InChIKeyDPAXVWSJUHIAMZ-UHFFFAOYSA-N
XLogP0.87
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.87
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)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride (CID 168713603) is 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride is CC(C)n1cc(N2CC(S(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is DPAXVWSJUHIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-7(2)14-5-8(4-12-14)13-6-9(3-10(13)15)18(11,16)17/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.31 g/mol, XLogP of 0.87, 3 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)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).