3-methylsulfonylpyrazol-1-amine

C4H7N3O2S — CID 166854528

IUPAC3-methylsulfonylpyrazol-1-amine
SMILESCS(=O)(=O)c1ccn(N)n1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)4-2-3-7(5)6-4/h2-3H,5H2,1H3
InChIKeyBSRQBIASJHRPDX-UHFFFAOYSA-N
MW161.19 g/mol
LogP-1.00
Rot. Bonds1

About 3-methylsulfonylpyrazol-1-amine

3-methylsulfonylpyrazol-1-amine (PubChem CID 166854528) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-methylsulfonylpyrazol-1-amine.

Molecular Properties

Compound Name3-methylsulfonylpyrazol-1-amine
PubChem CID166854528
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name3-methylsulfonylpyrazol-1-amine
SMILESCS(=O)(=O)c1ccn(N)n1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)4-2-3-7(5)6-4/h2-3H,5H2,1H3
InChIKeyBSRQBIASJHRPDX-UHFFFAOYSA-N
XLogP-1.00
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpyrazol-1-amine?
The IUPAC name of 3-methylsulfonylpyrazol-1-amine (CID 166854528) is 3-methylsulfonylpyrazol-1-amine.
What is the SMILES notation for 3-methylsulfonylpyrazol-1-amine?
The canonical SMILES for 3-methylsulfonylpyrazol-1-amine is CS(=O)(=O)c1ccn(N)n1.
What is the InChIKey of 3-methylsulfonylpyrazol-1-amine?
The InChIKey is BSRQBIASJHRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-10(8,9)4-2-3-7(5)6-4/h2-3H,5H2,1H3.
What are the key properties of 3-methylsulfonylpyrazol-1-amine?
3-methylsulfonylpyrazol-1-amine has a molecular weight of 161.19 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpyrazol-1-amine is sourced from PubChem (CID 166854528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).