N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide

C10H10N4O3S — CID 99834146

IUPACN-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide
SMILESCn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccsc1
InChIInChI=1S/C10H10N4O3S/c1-13-10(8(5-11-13)14(16)17)12-9(15)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyGOZSVNSABCAXFE-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.57
Rot. Bonds4

About N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide

N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide (PubChem CID 99834146) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide
PubChem CID99834146
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide
SMILESCn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccsc1
InChIInChI=1S/C10H10N4O3S/c1-13-10(8(5-11-13)14(16)17)12-9(15)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyGOZSVNSABCAXFE-UHFFFAOYSA-N
XLogP1.57
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.57
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 N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide (CID 99834146) is N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide is Cn1ncc([N+](=O)[O-])c1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide?
The InChIKey is GOZSVNSABCAXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-13-10(8(5-11-13)14(16)17)12-9(15)4-7-2-3-18-6-7/h2-3,5-6H,4H2,1H3,(H,12,15).
What are the key properties of N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide?
N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide has a molecular weight of 266.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-nitropyrazol-5-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 99834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).