ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate

C7H9FN2O3S — CID 155576772

IUPACethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OC)nn1SF
InChIInChI=1S/C7H9FN2O3S/c1-3-13-7(11)5-4-6(12-2)9-10(5)14-8/h4H,3H2,1-2H3
InChIKeySXXVUKNQXKKIPV-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.45
Rot. Bonds4

About ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate

ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate (PubChem CID 155576772) has the molecular formula C7H9FN2O3S and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate
PubChem CID155576772
Molecular FormulaC7H9FN2O3S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Nameethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(OC)nn1SF
InChIInChI=1S/C7H9FN2O3S/c1-3-13-7(11)5-4-6(12-2)9-10(5)14-8/h4H,3H2,1-2H3
InChIKeySXXVUKNQXKKIPV-UHFFFAOYSA-N
XLogP1.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate?
The IUPAC name of ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate (CID 155576772) is ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate is CCOC(=O)c1cc(OC)nn1SF.
What is the InChIKey of ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate?
The InChIKey is SXXVUKNQXKKIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3S/c1-3-13-7(11)5-4-6(12-2)9-10(5)14-8/h4H,3H2,1-2H3.
What are the key properties of ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate?
ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate has a molecular weight of 220.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorosulfanyl-3-methoxypyrazole-5-carboxylate is sourced from PubChem (CID 155576772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).