3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide

C10H15N5O4S — CID 105359048

IUPAC3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c(N)nn1C
InChIInChI=1S/C10H15N5O4S/c1-5-8(9(11)12-15(5)3)20(18,19)13-6-4-7(16)14(2)10(6)17/h6,13H,4H2,1-3H3,(H2,11,12)
InChIKeyBSRYSMVDFGFPIT-UHFFFAOYSA-N
MW301.33 g/mol
LogP-1.65
Rot. Bonds3

About 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide (PubChem CID 105359048) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide
PubChem CID105359048
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c(N)nn1C
InChIInChI=1S/C10H15N5O4S/c1-5-8(9(11)12-15(5)3)20(18,19)13-6-4-7(16)14(2)10(6)17/h6,13H,4H2,1-3H3,(H2,11,12)
InChIKeyBSRYSMVDFGFPIT-UHFFFAOYSA-N
XLogP-1.65
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 79570373
2-amino-3,6-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzenesulfonamide
CID 103171602
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 105359128
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-chloro-2-methyl-N-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 100762065
3-amino-1,5-dimethyl-N-(4-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 105359302
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide (CID 105359048) is 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2CC(=O)N(C)C2=O)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
The InChIKey is BSRYSMVDFGFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c1-5-8(9(11)12-15(5)3)20(18,19)13-6-4-7(16)14(2)10(6)17/h6,13H,4H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide has a molecular weight of 301.33 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).