3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide

C11H12N6O4S — CID 91629163

IUPAC3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2cnc3ccnn3c2)C1=O
InChIInChI=1S/C11H12N6O4S/c1-22(20,21)17-5-4-15(11(17)19)10(18)14-8-6-12-9-2-3-13-16(9)7-8/h2-3,6-7H,4-5H2,1H3,(H,14,18)
InChIKeySCOXBFOXIVYXRB-UHFFFAOYSA-N
MW324.32 g/mol
LogP-0.04
Rot. Bonds2

About 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide

3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide (PubChem CID 91629163) has the molecular formula C11H12N6O4S and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide
PubChem CID91629163
Molecular FormulaC11H12N6O4S
Molecular Weight324.32 g/mol
Exact Mass324.06
IUPAC Name3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2cnc3ccnn3c2)C1=O
InChIInChI=1S/C11H12N6O4S/c1-22(20,21)17-5-4-15(11(17)19)10(18)14-8-6-12-9-2-3-13-16(9)7-8/h2-3,6-7H,4-5H2,1H3,(H,14,18)
InChIKeySCOXBFOXIVYXRB-UHFFFAOYSA-N
XLogP-0.04
TPSA116.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide?
The IUPAC name of 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide (CID 91629163) is 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide?
The canonical SMILES for 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)Nc2cnc3ccnn3c2)C1=O.
What is the InChIKey of 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide?
The InChIKey is SCOXBFOXIVYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4S/c1-22(20,21)17-5-4-15(11(17)19)10(18)14-8-6-12-9-2-3-13-16(9)7-8/h2-3,6-7H,4-5H2,1H3,(H,14,18).
What are the key properties of 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide?
3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide has a molecular weight of 324.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2-oxo-N-pyrazolo[1,5-a]pyrimidin-6-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 91629163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).