[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H11BrFN3O3S — CID 168676235

IUPAC[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1[nH]nc(N2CC(CS(=O)(=O)F)CC2=O)c1Br
InChIInChI=1S/C9H11BrFN3O3S/c1-5-8(10)9(13-12-5)14-3-6(2-7(14)15)4-18(11,16)17/h6H,2-4H2,1H3,(H,12,13)
InChIKeyNFCRHEHELJFNDW-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.13
Rot. Bonds3

About [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676235) has the molecular formula C9H11BrFN3O3S and a molecular weight of 340.17 g/mol. Its IUPAC name is [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676235
Molecular FormulaC9H11BrFN3O3S
Molecular Weight340.17 g/mol
Exact Mass338.97
IUPAC Name[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1[nH]nc(N2CC(CS(=O)(=O)F)CC2=O)c1Br
InChIInChI=1S/C9H11BrFN3O3S/c1-5-8(10)9(13-12-5)14-3-6(2-7(14)15)4-18(11,16)17/h6H,2-4H2,1H3,(H,12,13)
InChIKeyNFCRHEHELJFNDW-UHFFFAOYSA-N
XLogP1.13
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(3-bromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677375
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
[1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675971
[1-(3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677457
[1-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
[1-(6-bromo-1,2,4-triazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677351
[1-(5-cyano-2-methylpyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676055
[5-oxo-1-(2,3,4,5,6-pentafluorophenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676795
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714641
[1-(2-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675726

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676235) is [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1[nH]nc(N2CC(CS(=O)(=O)F)CC2=O)c1Br.
What is the InChIKey of [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NFCRHEHELJFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3O3S/c1-5-8(10)9(13-12-5)14-3-6(2-7(14)15)4-18(11,16)17/h6H,2-4H2,1H3,(H,12,13).
What are the key properties of [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 340.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).