1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine

C9H15N3O2S — CID 43420054

IUPAC1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(C2CCS(=O)(=O)C2)c(C)c1N
InChIInChI=1S/C9H15N3O2S/c1-6-9(10)7(2)12(11-6)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3
InChIKeyVPEGENXFGPYIAK-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.44
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine

1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine (PubChem CID 43420054) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine
PubChem CID43420054
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(C2CCS(=O)(=O)C2)c(C)c1N
InChIInChI=1S/C9H15N3O2S/c1-6-9(10)7(2)12(11-6)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3
InChIKeyVPEGENXFGPYIAK-UHFFFAOYSA-N
XLogP0.44
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine (CID 43420054) is 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine is Cc1nn(C2CCS(=O)(=O)C2)c(C)c1N.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is VPEGENXFGPYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-9(10)7(2)12(11-6)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine?
1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 229.30 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 43420054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).