5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride

C5H8FN3O2S — CID 138039624

IUPAC5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride
SMILESCc1nn(C)c(N)c1S(=O)(=O)F
InChIInChI=1S/C5H8FN3O2S/c1-3-4(12(6,10)11)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyCLVLZWVNRPPRQF-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.03
Rot. Bonds1

About 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride

5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride (PubChem CID 138039624) has the molecular formula C5H8FN3O2S and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride
PubChem CID138039624
Molecular FormulaC5H8FN3O2S
Molecular Weight193.20 g/mol
Exact Mass193.03
IUPAC Name5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride
SMILESCc1nn(C)c(N)c1S(=O)(=O)F
InChIInChI=1S/C5H8FN3O2S/c1-3-4(12(6,10)11)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyCLVLZWVNRPPRQF-UHFFFAOYSA-N
XLogP-0.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride?
The IUPAC name of 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride (CID 138039624) is 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride?
The canonical SMILES for 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride is Cc1nn(C)c(N)c1S(=O)(=O)F.
What is the InChIKey of 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride?
The InChIKey is CLVLZWVNRPPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O2S/c1-3-4(12(6,10)11)5(7)9(2)8-3/h7H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride?
5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride has a molecular weight of 193.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylpyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 138039624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).