2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C9H7N5OS — CID 164547405

IUPAC2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cn[nH]c3)sc12
InChIInChI=1S/C9H7N5OS/c10-8(15)6-3-13-14-4-7(16-9(6)14)5-1-11-12-2-5/h1-4H,(H2,10,15)(H,11,12)
InChIKeyMWEVCDVGLJAIIM-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.88
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547405) has the molecular formula C9H7N5OS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547405
Molecular FormulaC9H7N5OS
Molecular Weight233.26 g/mol
Exact Mass233.04
IUPAC Name2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cn[nH]c3)sc12
InChIInChI=1S/C9H7N5OS/c10-8(15)6-3-13-14-4-7(16-9(6)14)5-1-11-12-2-5/h1-4H,(H2,10,15)(H,11,12)
InChIKeyMWEVCDVGLJAIIM-UHFFFAOYSA-N
XLogP0.88
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547405) is 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is NC(=O)c1cnn2cc(-c3cn[nH]c3)sc12.
What is the InChIKey of 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is MWEVCDVGLJAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5OS/c10-8(15)6-3-13-14-4-7(16-9(6)14)5-1-11-12-2-5/h1-4H,(H2,10,15)(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).