5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide

C11H12N4O3S — CID 112690383

IUPAC5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1
InChIInChI=1S/C11H12N4O3S/c1-2-3-7-6-9(14-13-7)12-11(16)8-4-5-10(19-8)15(17)18/h4-6H,2-3H2,1H3,(H2,12,13,14,16)
InChIKeyORWSIIJKSOGLGU-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.58
Rot. Bonds5

About 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide

5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 112690383) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
PubChem CID112690383
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1
InChIInChI=1S/C11H12N4O3S/c1-2-3-7-6-9(14-13-7)12-11(16)8-4-5-10(19-8)15(17)18/h4-6H,2-3H2,1H3,(H2,12,13,14,16)
InChIKeyORWSIIJKSOGLGU-UHFFFAOYSA-N
XLogP2.58
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 115621174
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-(1-methylpyrazol-3-yl)-5-nitrothiophene-2-carboxamide
CID 16796460
N-(4-methyl-1H-pyrazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 112691284
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide (CID 112690383) is 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide is CCCc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1.
What is the InChIKey of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is ORWSIIJKSOGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-2-3-7-6-9(14-13-7)12-11(16)8-4-5-10(19-8)15(17)18/h4-6H,2-3H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide?
5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112690383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).