[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid

C5H7FN4O3S — CID 146571414

IUPAC[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESNS(=O)(=NC(=O)O)c1ccn(CF)n1
InChIInChI=1S/C5H7FN4O3S/c6-3-10-2-1-4(8-10)14(7,13)9-5(11)12/h1-2H,3H2,(H,11,12)(H2,7,9,13)
InChIKeyFUMCRBPVDJMIMP-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.19
Rot. Bonds2

About [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid

[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid (PubChem CID 146571414) has the molecular formula C5H7FN4O3S and a molecular weight of 222.20 g/mol. Its IUPAC name is [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid.

Molecular Properties

Compound Name[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid
PubChem CID146571414
Molecular FormulaC5H7FN4O3S
Molecular Weight222.20 g/mol
Exact Mass222.02
IUPAC Name[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid
SMILESNS(=O)(=NC(=O)O)c1ccn(CF)n1
InChIInChI=1S/C5H7FN4O3S/c6-3-10-2-1-4(8-10)14(7,13)9-5(11)12/h1-2H,3H2,(H,11,12)(H2,7,9,13)
InChIKeyFUMCRBPVDJMIMP-UHFFFAOYSA-N
XLogP0.19
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The IUPAC name of [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid (CID 146571414) is [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid.
What is the SMILES notation for [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The canonical SMILES for [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid is NS(=O)(=NC(=O)O)c1ccn(CF)n1.
What is the InChIKey of [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid?
The InChIKey is FUMCRBPVDJMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O3S/c6-3-10-2-1-4(8-10)14(7,13)9-5(11)12/h1-2H,3H2,(H,11,12)(H2,7,9,13).
What are the key properties of [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid?
[amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid has a molecular weight of 222.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[1-(fluoromethyl)pyrazol-3-yl]-oxo-λ6-sulfanylidene]carbamic acid is sourced from PubChem (CID 146571414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).