1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide

C12H12N4O4 — CID 19262414

IUPAC1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)n1
InChIInChI=1S/C12H12N4O4/c1-2-15-6-5-10(14-15)12(18)13-9-4-3-8(16(19)20)7-11(9)17/h3-7,17H,2H2,1H3,(H,13,18)
InChIKeyZOGNXSFOADKROC-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.77
Rot. Bonds4

About 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide

1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19262414) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19262414
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)n1
InChIInChI=1S/C12H12N4O4/c1-2-15-6-5-10(14-15)12(18)13-9-4-3-8(16(19)20)7-11(9)17/h3-7,17H,2H2,1H3,(H,13,18)
InChIKeyZOGNXSFOADKROC-UHFFFAOYSA-N
XLogP1.77
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide (CID 19262414) is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)n1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is ZOGNXSFOADKROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-2-15-6-5-10(14-15)12(18)13-9-4-3-8(16(19)20)7-11(9)17/h3-7,17H,2H2,1H3,(H,13,18).
What are the key properties of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide?
1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19262414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).