2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C8H7N5O3S — CID 1258799

IUPAC2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c14-7(10-8-9-2-4-17-8)5-12-3-1-6(11-12)13(15)16/h1-4H,5H2,(H,9,10,14)
InChIKeyZKSAJSNOEBPEEE-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.89
Rot. Bonds4

About 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1258799) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1258799
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C8H7N5O3S/c14-7(10-8-9-2-4-17-8)5-12-3-1-6(11-12)13(15)16/h1-4H,5H2,(H,9,10,14)
InChIKeyZKSAJSNOEBPEEE-UHFFFAOYSA-N
XLogP0.89
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 1258799) is 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZKSAJSNOEBPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S/c14-7(10-8-9-2-4-17-8)5-12-3-1-6(11-12)13(15)16/h1-4H,5H2,(H,9,10,14).
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 253.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1258799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).