methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate

C10H12FN3O5S — CID 168714710

IUPACmethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H12FN3O5S/c1-13-9(7(4-12-13)10(16)19-2)14-5-6(3-8(14)15)20(11,17)18/h4,6H,3,5H2,1-2H3
InChIKeyQQRIMIZDGORRLH-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.39
Rot. Bonds3

About methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate

methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate (PubChem CID 168714710) has the molecular formula C10H12FN3O5S and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate
PubChem CID168714710
Molecular FormulaC10H12FN3O5S
Molecular Weight305.29 g/mol
Exact Mass305.05
IUPAC Namemethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H12FN3O5S/c1-13-9(7(4-12-13)10(16)19-2)14-5-6(3-8(14)15)20(11,17)18/h4,6H,3,5H2,1-2H3
InChIKeyQQRIMIZDGORRLH-UHFFFAOYSA-N
XLogP-0.39
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate (CID 168714710) is methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate?
The InChIKey is QQRIMIZDGORRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O5S/c1-13-9(7(4-12-13)10(16)19-2)14-5-6(3-8(14)15)20(11,17)18/h4,6H,3,5H2,1-2H3.
What are the key properties of methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate?
methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate has a molecular weight of 305.29 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 168714710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).