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

C10H14FN3O3S — CID 168675429

IUPAC[1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-2-13-6-9(4-12-13)14-5-8(3-10(14)15)7-18(11,16)17/h4,6,8H,2-3,5,7H2,1H3
InChIKeySKHVJBVNSJBUIL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.56
Rot. Bonds4

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

[1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675429) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675429
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name[1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C10H14FN3O3S/c1-2-13-6-9(4-12-13)14-5-8(3-10(14)15)7-18(11,16)17/h4,6,8H,2-3,5,7H2,1H3
InChIKeySKHVJBVNSJBUIL-UHFFFAOYSA-N
XLogP0.56
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675429) is [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCn1cc(N2CC(CS(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is SKHVJBVNSJBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-2-13-6-9(4-12-13)14-5-8(3-10(14)15)7-18(11,16)17/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 275.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).