1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide

C12H10N6OS — CID 114911543

IUPAC1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3cnns3)n2)c1
InChIInChI=1S/C12H10N6OS/c13-8-2-1-3-9(6-8)18-5-4-10(16-18)12(19)15-11-7-14-17-20-11/h1-7H,13H2,(H,15,19)
InChIKeyUBBWXADFODJMDR-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide

1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide (PubChem CID 114911543) has the molecular formula C12H10N6OS and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
PubChem CID114911543
Molecular FormulaC12H10N6OS
Molecular Weight286.32 g/mol
Exact Mass286.06
IUPAC Name1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)Nc3cnns3)n2)c1
InChIInChI=1S/C12H10N6OS/c13-8-2-1-3-9(6-8)18-5-4-10(16-18)12(19)15-11-7-14-17-20-11/h1-7H,13H2,(H,15,19)
InChIKeyUBBWXADFODJMDR-UHFFFAOYSA-N
XLogP1.56
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide (CID 114911543) is 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide is Nc1cccc(-n2ccc(C(=O)Nc3cnns3)n2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is UBBWXADFODJMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS/c13-8-2-1-3-9(6-8)18-5-4-10(16-18)12(19)15-11-7-14-17-20-11/h1-7H,13H2,(H,15,19).
What are the key properties of 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide?
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 114911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).