2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine

C9H15N3O2S — CID 43159025

IUPAC2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(C2CCS(=O)(=O)C2)c(N)c1C
InChIInChI=1S/C9H15N3O2S/c1-6-7(2)11-12(9(6)10)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3
InChIKeyXGGVLVFJPCWHOG-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.44
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine

2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine (PubChem CID 43159025) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine
PubChem CID43159025
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine
SMILESCc1nn(C2CCS(=O)(=O)C2)c(N)c1C
InChIInChI=1S/C9H15N3O2S/c1-6-7(2)11-12(9(6)10)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3
InChIKeyXGGVLVFJPCWHOG-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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Related Compounds

3-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
2-Methyl-2,6-dihydro-4H-thieno(3,4-c)pyrazol-3-amine
CID 45121297
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850
N,N,3-trimethyl-1-(2-methylpropyl)-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 72045679
1-(1,1-Dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43159021
1-(1,1-Dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 43159045
1-(1,1-Dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43670928
1-(1,1-Dioxothiolan-3-yl)-4-propyl-3-(trifluoromethyl)pyrazol-5-amine
CID 79405702
1-(1,1-Dioxothiolan-3-yl)-4-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 116228741
4-fluoro-3-(methanesulfonylmethyl)-1-methyl-1H-pyrazol-5-amine
CID 165498910
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
CID 167806079
2-Butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 15358849

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine (CID 43159025) is 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine is Cc1nn(C2CCS(=O)(=O)C2)c(N)c1C.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine?
The InChIKey is XGGVLVFJPCWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-7(2)11-12(9(6)10)8-3-4-15(13,14)5-8/h8H,3-5,10H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine?
2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-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 2-(1,1-dioxothiolan-3-yl)-4,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 43159025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).