5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C11H16N6OS — CID 76952356

IUPAC5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1cc(Sc2c(C(N)=NO)c(C)nn2C)n(C)n1
InChIInChI=1S/C11H16N6OS/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15)
InChIKeyNYXVCZIHSSSDMT-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.02
Rot. Bonds3

About 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76952356) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76952356
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1cc(Sc2c(C(N)=NO)c(C)nn2C)n(C)n1
InChIInChI=1S/C11H16N6OS/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15)
InChIKeyNYXVCZIHSSSDMT-UHFFFAOYSA-N
XLogP1.02
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76952356) is 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1cc(Sc2c(C(N)=NO)c(C)nn2C)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is NYXVCZIHSSSDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 280.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).