[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H18FN3O3S — CID 168675299

IUPAC[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCn1ncc(C)c1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H18FN3O3S/c1-3-4-16-12(9(2)6-14-16)15-7-10(5-11(15)17)8-20(13,18)19/h6,10H,3-5,7-8H2,1-2H3
InChIKeyLUHFUOAVVBKPBN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.25
Rot. Bonds5

About [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675299) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675299
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCCn1ncc(C)c1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C12H18FN3O3S/c1-3-4-16-12(9(2)6-14-16)15-7-10(5-11(15)17)8-20(13,18)19/h6,10H,3-5,7-8H2,1-2H3
InChIKeyLUHFUOAVVBKPBN-UHFFFAOYSA-N
XLogP1.25
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675299) is [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCCn1ncc(C)c1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is LUHFUOAVVBKPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-3-4-16-12(9(2)6-14-16)15-7-10(5-11(15)17)8-20(13,18)19/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 303.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1-propylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).