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

C9H17N3O2S — CID 83241815

IUPAC3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C9H17N3O2S/c1-7-5-8(10)11-12(7)9(2)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyZZOBBFYBHFQGJZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.07
Rot. Bonds1

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

3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine (PubChem CID 83241815) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine
PubChem CID83241815
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine
SMILESCC1CC(N)=NN1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C9H17N3O2S/c1-7-5-8(10)11-12(7)9(2)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11)
InChIKeyZZOBBFYBHFQGJZ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine (CID 83241815) is 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine is CC1CC(N)=NN1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine?
The InChIKey is ZZOBBFYBHFQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7-5-8(10)11-12(7)9(2)3-4-15(13,14)6-9/h7H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine?
3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 83241815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).