5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine

C10H18N4O2S — CID 66011811

IUPAC5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N4O2S/c1-3-14-10(9(11)7(2)13-14)12-8-4-5-17(15,16)6-8/h8,12H,3-6,11H2,1-2H3
InChIKeyJZMPHUCNGXJBTJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.39
Rot. Bonds3

About 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66011811) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66011811
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18N4O2S/c1-3-14-10(9(11)7(2)13-14)12-8-4-5-17(15,16)6-8/h8,12H,3-6,11H2,1-2H3
InChIKeyJZMPHUCNGXJBTJ-UHFFFAOYSA-N
XLogP0.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018055
1-ethyl-3-methyl-5-N-(3,3,5,5-tetramethylcyclohexyl)pyrazole-4,5-diamine
CID 103965336
N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013301
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018561
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1-methylpyrrolidin-2-one
CID 106252158
(1,1-dioxothiolan-3-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125465
3-methyl-5-N-(4-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
CID 66027024
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]piperidin-2-one
CID 66012065
1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
CID 114121291
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
N-(1,1-dioxothiolan-3-yl)-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 91639012
N-(1,1-dioxothian-4-yl)-1-ethyl-3-methylpyrazolo[3,4-b]pyridin-4-amine
CID 142701372

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66011811) is 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is JZMPHUCNGXJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-14-10(9(11)7(2)13-14)12-8-4-5-17(15,16)6-8/h8,12H,3-6,11H2,1-2H3.
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.39, 3 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-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66011811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).