[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride

C14H14ClN3O3S — CID 168674483

IUPAC[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccnn1-c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-22(20,21)10-11-8-14(19)17(9-11)13-6-7-16-18(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyFIUBALFSWBULDD-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.79
Rot. Bonds4

About [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674483) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674483
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ccnn1-c1ccccc1
InChIInChI=1S/C14H14ClN3O3S/c15-22(20,21)10-11-8-14(19)17(9-11)13-6-7-16-18(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2
InChIKeyFIUBALFSWBULDD-UHFFFAOYSA-N
XLogP1.79
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride 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

(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
4-(azidomethyl)-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168658472
[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
[1-(2-butan-2-ylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672528
4-ethenyl-1-(2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168686545
[1-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674485
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674461
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
[1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674279

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168674483) is [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1ccnn1-c1ccccc1.
What is the InChIKey of [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is FIUBALFSWBULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-22(20,21)10-11-8-14(19)17(9-11)13-6-7-16-18(13)12-4-2-1-3-5-12/h1-7,11H,8-10H2.
What are the key properties of [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 339.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).