[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H14FN3O4S — CID 168677743

IUPAC[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cnn(CCO)c1
InChIInChI=1S/C10H14FN3O4S/c11-19(17,18)7-8-3-10(16)14(5-8)9-4-12-13(6-9)1-2-15/h4,6,8,15H,1-3,5,7H2
InChIKeyGXSLTGVOKXNBNQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.47
Rot. Bonds5

About [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677743) has the molecular formula C10H14FN3O4S and a molecular weight of 291.30 g/mol. Its IUPAC name is [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677743
Molecular FormulaC10H14FN3O4S
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1cnn(CCO)c1
InChIInChI=1S/C10H14FN3O4S/c11-19(17,18)7-8-3-10(16)14(5-8)9-4-12-13(6-9)1-2-15/h4,6,8,15H,1-3,5,7H2
InChIKeyGXSLTGVOKXNBNQ-UHFFFAOYSA-N
XLogP-0.47
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-1-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrrolidin-2-one
CID 168661317
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
1-(1-propylpyrazol-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669791
4-(aminomethyl)-1-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 168659272
[1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676311
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(4-acetylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675238
5-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 168677341
[1-[2-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677418
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677743) is [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1cnn(CCO)c1.
What is the InChIKey of [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GXSLTGVOKXNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S/c11-19(17,18)7-8-3-10(16)14(5-8)9-4-12-13(6-9)1-2-15/h4,6,8,15H,1-3,5,7H2.
What are the key properties of [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 291.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-hydroxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).