[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C10H11ClF3N3O3S — CID 168673585

IUPAC[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCn1nc(C(F)(F)F)cc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11ClF3N3O3S/c1-16-8(3-7(15-16)10(12,13)14)17-4-6(2-9(17)18)5-21(11,19)20/h3,6H,2,4-5H2,1H3
InChIKeyLBOGOWUUUITFDJ-UHFFFAOYSA-N
MW345.73 g/mol
LogP1.36
Rot. Bonds3

About [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673585) has the molecular formula C10H11ClF3N3O3S and a molecular weight of 345.73 g/mol. Its IUPAC name is [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673585
Molecular FormulaC10H11ClF3N3O3S
Molecular Weight345.73 g/mol
Exact Mass345.02
IUPAC Name[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCn1nc(C(F)(F)F)cc1N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H11ClF3N3O3S/c1-16-8(3-7(15-16)10(12,13)14)17-4-6(2-9(17)18)5-21(11,19)20/h3,6H,2,4-5H2,1H3
InChIKeyLBOGOWUUUITFDJ-UHFFFAOYSA-N
XLogP1.36
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673585) is [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is Cn1nc(C(F)(F)F)cc1N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is LBOGOWUUUITFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O3S/c1-16-8(3-7(15-16)10(12,13)14)17-4-6(2-9(17)18)5-21(11,19)20/h3,6H,2,4-5H2,1H3.
What are the key properties of [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 345.73 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).