tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate

C10H17FN4O3S — CID 146618668

IUPACtert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate
SMILESCCn1ncc(F)c1S(N)(=O)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FN4O3S/c1-5-15-8(7(11)6-13-15)19(12,17)14-9(16)18-10(2,3)4/h6H,5H2,1-4H3,(H2,12,14,16,17)
InChIKeyUJFDJVGFDIDEIZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate

tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate (PubChem CID 146618668) has the molecular formula C10H17FN4O3S and a molecular weight of 292.34 g/mol. Its IUPAC name is tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate
PubChem CID146618668
Molecular FormulaC10H17FN4O3S
Molecular Weight292.34 g/mol
Exact Mass292.10
IUPAC Nametert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate
SMILESCCn1ncc(F)c1S(N)(=O)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17FN4O3S/c1-5-15-8(7(11)6-13-15)19(12,17)14-9(16)18-10(2,3)4/h6H,5H2,1-4H3,(H2,12,14,16,17)
InChIKeyUJFDJVGFDIDEIZ-UHFFFAOYSA-N
XLogP1.68
TPSA99.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate?
The IUPAC name of tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate (CID 146618668) is tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate.
What is the SMILES notation for tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate?
The canonical SMILES for tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate is CCn1ncc(F)c1S(N)(=O)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate?
The InChIKey is UJFDJVGFDIDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O3S/c1-5-15-8(7(11)6-13-15)19(12,17)14-9(16)18-10(2,3)4/h6H,5H2,1-4H3,(H2,12,14,16,17).
What are the key properties of tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate?
tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate has a molecular weight of 292.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[amino-(1-ethyl-4-fluoropyrazol-5-yl)-oxo-λ6-sulfanylidene]carbamate is sourced from PubChem (CID 146618668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).