1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H12FN3O3S — CID 168713833

IUPAC1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCn1cc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-2-12-5-7(4-11-12)13-6-8(3-9(13)14)17(10,15)16/h4-5,8H,2-3,6H2,1H3
InChIKeyULNRSIJXPWWPKX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.31
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713833) has the molecular formula C9H12FN3O3S and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713833
Molecular FormulaC9H12FN3O3S
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCn1cc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C9H12FN3O3S/c1-2-12-5-7(4-11-12)13-6-8(3-9(13)14)17(10,15)16/h4-5,8H,2-3,6H2,1H3
InChIKeyULNRSIJXPWWPKX-UHFFFAOYSA-N
XLogP0.31
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713833) is 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is CCn1cc(N2CC(S(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ULNRSIJXPWWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O3S/c1-2-12-5-7(4-11-12)13-6-8(3-9(13)14)17(10,15)16/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 261.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).