5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine

C11H20N4O2S — CID 66018055

IUPAC5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C11H20N4O2S/c1-3-4-9-10(12)11(15(2)14-9)13-8-5-6-18(16,17)7-8/h8,13H,3-7,12H2,1-2H3
InChIKeyZJQPWECBCFOGPQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.55
Rot. Bonds4

About 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66018055) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66018055
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C11H20N4O2S/c1-3-4-9-10(12)11(15(2)14-9)13-8-5-6-18(16,17)7-8/h8,13H,3-7,12H2,1-2H3
InChIKeyZJQPWECBCFOGPQ-UHFFFAOYSA-N
XLogP0.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018561
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813
5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011811
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
5-N-(1,1-dioxothian-4-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018202
N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013301
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66018055) is 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is ZJQPWECBCFOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-4-9-10(12)11(15(2)14-9)13-8-5-6-18(16,17)7-8/h8,13H,3-7,12H2,1-2H3.
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 272.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66018055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).