2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C11H12N4O3S — CID 749096

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1
InChIInChI=1S/C11H12N4O3S/c1-8-5-10(15(17)18)13-14(8)7-11(16)12-6-9-3-2-4-19-9/h2-5H,6-7H2,1H3,(H,12,16)
InChIKeyWSCIQDNSTQXDIC-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.48
Rot. Bonds5

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 749096) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID749096
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1
InChIInChI=1S/C11H12N4O3S/c1-8-5-10(15(17)18)13-14(8)7-11(16)12-6-9-3-2-4-19-9/h2-5H,6-7H2,1H3,(H,12,16)
InChIKeyWSCIQDNSTQXDIC-UHFFFAOYSA-N
XLogP1.48
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 749096) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WSCIQDNSTQXDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-8-5-10(15(17)18)13-14(8)7-11(16)12-6-9-3-2-4-19-9/h2-5H,6-7H2,1H3,(H,12,16).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 749096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).