3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine

C13H19N5O2S — CID 83204357

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(C2(C)CCS(=O)(=O)C2)cc1N
InChIInChI=1S/C13H19N5O2S/c1-9-10(6-17(3)15-9)12-11(14)7-18(16-12)13(2)4-5-21(19,20)8-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyHPZGGZMUGUPKGD-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.71
Rot. Bonds2

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

3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (PubChem CID 83204357) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
PubChem CID83204357
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1-c1nn(C2(C)CCS(=O)(=O)C2)cc1N
InChIInChI=1S/C13H19N5O2S/c1-9-10(6-17(3)15-9)12-11(14)7-18(16-12)13(2)4-5-21(19,20)8-13/h6-7H,4-5,8,14H2,1-3H3
InChIKeyHPZGGZMUGUPKGD-UHFFFAOYSA-N
XLogP0.71
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (CID 83204357) is 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is Cc1nn(C)cc1-c1nn(C2(C)CCS(=O)(=O)C2)cc1N.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The InChIKey is HPZGGZMUGUPKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-10(6-17(3)15-9)12-11(14)7-18(16-12)13(2)4-5-21(19,20)8-13/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine has a molecular weight of 309.40 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83204357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).