1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine

C11H13N3O2S2 — CID 43090486

IUPAC1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O2S2/c12-11-6-9(10-2-1-4-17-10)13-14(11)8-3-5-18(15,16)7-8/h1-2,4,6,8H,3,5,7,12H2
InChIKeyKTZNAYRHOIHDHB-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.55
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine

1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 43090486) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine
PubChem CID43090486
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine
SMILESNc1cc(-c2cccs2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O2S2/c12-11-6-9(10-2-1-4-17-10)13-14(11)8-3-5-18(15,16)7-8/h1-2,4,6,8H,3,5,7,12H2
InChIKeyKTZNAYRHOIHDHB-UHFFFAOYSA-N
XLogP1.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
2-(5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 16228635
1-(1-thien-2-ylethyl)-1H-pyrazol-5-amine
CID 3154158
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-1H-pyrazol-5-yl)methanesulfonamide
CID 17015962
5-Methyl-2-[(5-methylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61733741
N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3691139
5-fluoro-2-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 3873158
4-fluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4465188
2,3,4-trifluoro-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 5015845

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine (CID 43090486) is 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine is Nc1cc(-c2cccs2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is KTZNAYRHOIHDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-11-6-9(10-2-1-4-17-10)13-14(11)8-3-5-18(15,16)7-8/h1-2,4,6,8H,3,5,7,12H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 43090486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).