[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H16FN3O3S — CID 168676299

IUPAC[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nc(C2CC2)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H16FN3O3S/c1-15-11(5-10(14-15)9-2-3-9)16-6-8(4-12(16)17)7-20(13,18)19/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFBBMQFLGDTYLDS-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.95
Rot. Bonds4

About [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676299) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676299
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCn1nc(C2CC2)cc1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H16FN3O3S/c1-15-11(5-10(14-15)9-2-3-9)16-6-8(4-12(16)17)7-20(13,18)19/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFBBMQFLGDTYLDS-UHFFFAOYSA-N
XLogP0.95
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
S-[[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667461
[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673585
[1-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676296
[1-(1-methylindazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676311
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
[1-(4-bromo-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676235
[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
[1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675816
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677760
[1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676295
[1-(2,3-dimethylquinoxalin-6-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675834

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676299) is [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cn1nc(C2CC2)cc1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is FBBMQFLGDTYLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-15-11(5-10(14-15)9-2-3-9)16-6-8(4-12(16)17)7-20(13,18)19/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 301.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-1-methylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).