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

C13H14N4O4 — CID 19474478

IUPAC1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1
InChIInChI=1S/C13H14N4O4/c1-3-16-7-10(8(2)15-16)13(19)14-11-5-4-9(17(20)21)6-12(11)18/h4-7,18H,3H2,1-2H3,(H,14,19)
InChIKeyZZZYJDAOMCYDLZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.08
Rot. Bonds4

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

1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 19474478) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID19474478
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1
InChIInChI=1S/C13H14N4O4/c1-3-16-7-10(8(2)15-16)13(19)14-11-5-4-9(17(20)21)6-12(11)18/h4-7,18H,3H2,1-2H3,(H,14,19)
InChIKeyZZZYJDAOMCYDLZ-UHFFFAOYSA-N
XLogP2.08
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.08
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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Related Compounds

N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-4-nitropyrazole-5-carboxamide
CID 19476589
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methyl-4-nitrophenyl)quinoline-4-carboxamide
CID 19511477
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19534179
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-methoxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414812
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide (CID 19474478) is 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ZZZYJDAOMCYDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-16-7-10(8(2)15-16)13(19)14-11-5-4-9(17(20)21)6-12(11)18/h4-7,18H,3H2,1-2H3,(H,14,19).
What are the key properties of 1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide?
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.08, 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)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).