3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine

C10H17N3O2S — CID 60923365

IUPAC3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2(C)CCS(=O)(=O)C2)c(C)c1N
InChIInChI=1S/C10H17N3O2S/c1-7-9(11)8(2)13(12-7)10(3)4-5-16(14,15)6-10/h4-6,11H2,1-3H3
InChIKeyJTPQTWIKXRCBIH-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.62
Rot. Bonds1

About 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine

3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (PubChem CID 60923365) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
PubChem CID60923365
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCc1nn(C2(C)CCS(=O)(=O)C2)c(C)c1N
InChIInChI=1S/C10H17N3O2S/c1-7-9(11)8(2)13(12-7)10(3)4-5-16(14,15)6-10/h4-6,11H2,1-3H3
InChIKeyJTPQTWIKXRCBIH-UHFFFAOYSA-N
XLogP0.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (CID 60923365) is 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is Cc1nn(C2(C)CCS(=O)(=O)C2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The InChIKey is JTPQTWIKXRCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-9(11)8(2)13(12-7)10(3)4-5-16(14,15)6-10/h4-6,11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine has a molecular weight of 243.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 60923365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).