1-ethyl-4-fluoropyrazole-5-sulfinamide

C5H8FN3OS — CID 146571466

IUPAC1-ethyl-4-fluoropyrazole-5-sulfinamide
SMILESCCn1ncc(F)c1S(N)=O
InChIInChI=1S/C5H8FN3OS/c1-2-9-5(11(7)10)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeyCRMRICYHRACOBK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.02
Rot. Bonds2

About 1-ethyl-4-fluoropyrazole-5-sulfinamide

1-ethyl-4-fluoropyrazole-5-sulfinamide (PubChem CID 146571466) has the molecular formula C5H8FN3OS and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-ethyl-4-fluoropyrazole-5-sulfinamide.

Molecular Properties

Compound Name1-ethyl-4-fluoropyrazole-5-sulfinamide
PubChem CID146571466
Molecular FormulaC5H8FN3OS
Molecular Weight177.20 g/mol
Exact Mass177.04
IUPAC Name1-ethyl-4-fluoropyrazole-5-sulfinamide
SMILESCCn1ncc(F)c1S(N)=O
InChIInChI=1S/C5H8FN3OS/c1-2-9-5(11(7)10)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeyCRMRICYHRACOBK-UHFFFAOYSA-N
XLogP0.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropyrazole-5-sulfinamide?
The IUPAC name of 1-ethyl-4-fluoropyrazole-5-sulfinamide (CID 146571466) is 1-ethyl-4-fluoropyrazole-5-sulfinamide.
What is the SMILES notation for 1-ethyl-4-fluoropyrazole-5-sulfinamide?
The canonical SMILES for 1-ethyl-4-fluoropyrazole-5-sulfinamide is CCn1ncc(F)c1S(N)=O.
What is the InChIKey of 1-ethyl-4-fluoropyrazole-5-sulfinamide?
The InChIKey is CRMRICYHRACOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3OS/c1-2-9-5(11(7)10)4(6)3-8-9/h3H,2,7H2,1H3.
What are the key properties of 1-ethyl-4-fluoropyrazole-5-sulfinamide?
1-ethyl-4-fluoropyrazole-5-sulfinamide has a molecular weight of 177.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropyrazole-5-sulfinamide is sourced from PubChem (CID 146571466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).