[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C15H16FN3O3S — CID 168676288

IUPAC[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nc(-c2ccccc2)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H16FN3O3S/c1-18-14(8-13(17-18)12-5-3-2-4-6-12)19-9-11(7-15(19)20)10-23(16,21)22/h2-6,8,11H,7,9-10H2,1H3
InChIKeyDRSDIHKORNBJFG-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.74
Rot. Bonds4

About [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676288) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676288
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nc(-c2ccccc2)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H16FN3O3S/c1-18-14(8-13(17-18)12-5-3-2-4-6-12)19-9-11(7-15(19)20)10-23(16,21)22/h2-6,8,11H,7,9-10H2,1H3
InChIKeyDRSDIHKORNBJFG-UHFFFAOYSA-N
XLogP1.74
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676299
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
[5-oxo-1-(6-phenyl-3-pyridinyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677109
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714693
[5-oxo-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677915
[1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676065
[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676295
4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
CID 168657039
[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673585
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677261

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676288) is [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1nc(-c2ccccc2)cc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is DRSDIHKORNBJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-18-14(8-13(17-18)12-5-3-2-4-6-12)19-9-11(7-15(19)20)10-23(16,21)22/h2-6,8,11H,7,9-10H2,1H3.
What are the key properties of [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 337.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).