methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate

C10H14N2O4S — CID 121214503

IUPACmethyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate
SMILESCCn1nc2c(c1C(=O)OC)CS(=O)(=O)CC2
InChIInChI=1S/C10H14N2O4S/c1-3-12-9(10(13)16-2)7-6-17(14,15)5-4-8(7)11-12/h3-6H2,1-2H3
InChIKeyCFJVTPLVOGFINT-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.16
Rot. Bonds2

About methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate

methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate (PubChem CID 121214503) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate
PubChem CID121214503
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate
SMILESCCn1nc2c(c1C(=O)OC)CS(=O)(=O)CC2
InChIInChI=1S/C10H14N2O4S/c1-3-12-9(10(13)16-2)7-6-17(14,15)5-4-8(7)11-12/h3-6H2,1-2H3
InChIKeyCFJVTPLVOGFINT-UHFFFAOYSA-N
XLogP0.16
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate (CID 121214503) is methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate is CCn1nc2c(c1C(=O)OC)CS(=O)(=O)CC2.
What is the InChIKey of methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate?
The InChIKey is CFJVTPLVOGFINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-12-9(10(13)16-2)7-6-17(14,15)5-4-8(7)11-12/h3-6H2,1-2H3.
What are the key properties of methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate?
methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxylate is sourced from PubChem (CID 121214503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).