fluoro pyrazol-1-yl sulfate

C3H3FN2O4S — CID 171665640

IUPACfluoro pyrazol-1-yl sulfate
SMILESO=S(=O)(OF)On1cccn1
InChIInChI=1S/C3H3FN2O4S/c4-9-11(7,8)10-6-3-1-2-5-6/h1-3H
InChIKeyFTMJOSQUJDISHR-UHFFFAOYSA-N
MW182.13 g/mol
LogP-0.54
Rot. Bonds3

About fluoro pyrazol-1-yl sulfate

fluoro pyrazol-1-yl sulfate (PubChem CID 171665640) has the molecular formula C3H3FN2O4S and a molecular weight of 182.13 g/mol. Its IUPAC name is fluoro pyrazol-1-yl sulfate.

Molecular Properties

Compound Namefluoro pyrazol-1-yl sulfate
PubChem CID171665640
Molecular FormulaC3H3FN2O4S
Molecular Weight182.13 g/mol
Exact Mass181.98
IUPAC Namefluoro pyrazol-1-yl sulfate
SMILESO=S(=O)(OF)On1cccn1
InChIInChI=1S/C3H3FN2O4S/c4-9-11(7,8)10-6-3-1-2-5-6/h1-3H
InChIKeyFTMJOSQUJDISHR-UHFFFAOYSA-N
XLogP-0.54
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze fluoro pyrazol-1-yl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Pyrazole, 1-nitro-
CID 146002
1-hydroxy-1H-pyrazole
CID 3016733
N-fluorosulfonylpyrazole
CID 14959300
Pyrazol-1-ide
CID 5460486
N-fluoropyrazole
CID 18614771
CID 5383984
CID 5383984
Pyrazol-1-yloxyboronic acid
CID 17775896
Pyrazole sulfamide
CID 21879659
1-Hydroxypyrazole 2-oxide
CID 53687818
Pyrazole nitrate
CID 129672445
Pyrazol-1-yl trifluoromethanesulfonate
CID 57066869
1-(Fluoromethoxy)pyrazole
CID 68298046

Frequently Asked Questions

What is the IUPAC name of fluoro pyrazol-1-yl sulfate?
The IUPAC name of fluoro pyrazol-1-yl sulfate (CID 171665640) is fluoro pyrazol-1-yl sulfate.
What is the SMILES notation for fluoro pyrazol-1-yl sulfate?
The canonical SMILES for fluoro pyrazol-1-yl sulfate is O=S(=O)(OF)On1cccn1.
What is the InChIKey of fluoro pyrazol-1-yl sulfate?
The InChIKey is FTMJOSQUJDISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O4S/c4-9-11(7,8)10-6-3-1-2-5-6/h1-3H.
What are the key properties of fluoro pyrazol-1-yl sulfate?
fluoro pyrazol-1-yl sulfate has a molecular weight of 182.13 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro pyrazol-1-yl sulfate is sourced from PubChem (CID 171665640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).