4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one

C12H19N3O3S — CID 55188543

IUPAC4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one
SMILESCn1c(C2CC2)c(N)c(=O)n1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O3S/c1-12(5-6-19(17,18)7-12)15-11(16)9(13)10(14(15)2)8-3-4-8/h8H,3-7,13H2,1-2H3
InChIKeyLQDWZYHBDADKRR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.18
Rot. Bonds2

About 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one

4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one (PubChem CID 55188543) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one
PubChem CID55188543
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one
SMILESCn1c(C2CC2)c(N)c(=O)n1C1(C)CCS(=O)(=O)C1
InChIInChI=1S/C12H19N3O3S/c1-12(5-6-19(17,18)7-12)15-11(16)9(13)10(14(15)2)8-3-4-8/h8H,3-7,13H2,1-2H3
InChIKeyLQDWZYHBDADKRR-UHFFFAOYSA-N
XLogP0.18
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one (CID 55188543) is 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one is Cn1c(C2CC2)c(N)c(=O)n1C1(C)CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one?
The InChIKey is LQDWZYHBDADKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(5-6-19(17,18)7-12)15-11(16)9(13)10(14(15)2)8-3-4-8/h8H,3-7,13H2,1-2H3.
What are the key properties of 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one?
4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one has a molecular weight of 285.37 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-1-methyl-2-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-3-one is sourced from PubChem (CID 55188543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).