5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid

C10H8N4O5S — CID 43474344

IUPAC5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H8N4O5S/c15-8(5-13-4-6(3-11-13)14(18)19)12-9-2-1-7(20-9)10(16)17/h1-4H,5H2,(H,12,15)(H,16,17)
InChIKeyCRWUYMSLYXNAJO-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.19
Rot. Bonds5

About 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid

5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474344) has the molecular formula C10H8N4O5S and a molecular weight of 296.26 g/mol. Its IUPAC name is 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474344
Molecular FormulaC10H8N4O5S
Molecular Weight296.26 g/mol
Exact Mass296.02
IUPAC Name5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C10H8N4O5S/c15-8(5-13-4-6(3-11-13)14(18)19)12-9-2-1-7(20-9)10(16)17/h1-4H,5H2,(H,12,15)(H,16,17)
InChIKeyCRWUYMSLYXNAJO-UHFFFAOYSA-N
XLogP1.19
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
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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Related Compounds

5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474780
6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
5-[[2-(1,2,4-triazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474723
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
methyl 5-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 19515974
N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 1256176
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115592981
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 5047489

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid (CID 43474344) is 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is CRWUYMSLYXNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5S/c15-8(5-13-4-6(3-11-13)14(18)19)12-9-2-1-7(20-9)10(16)17/h1-4H,5H2,(H,12,15)(H,16,17).
What are the key properties of 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 296.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).