2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C14H15N5O4 — CID 135521475

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1
InChIInChI=1S/C14H15N5O4/c1-9-5-10(2)18(17-9)8-14(21)16-15-7-11-6-12(19(22)23)3-4-13(11)20/h3-7,20H,8H2,1-2H3,(H,16,21)/b15-7+
InChIKeyBNTRVQVADDUYIL-VIZOYTHASA-N
MW317.31 g/mol
LogP1.26
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135521475) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135521475
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1
InChIInChI=1S/C14H15N5O4/c1-9-5-10(2)18(17-9)8-14(21)16-15-7-11-6-12(19(22)23)3-4-13(11)20/h3-7,20H,8H2,1-2H3,(H,16,21)/b15-7+
InChIKeyBNTRVQVADDUYIL-VIZOYTHASA-N
XLogP1.26
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'-[(E)-(2-hydroxyphenyl)methylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 135549910
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 135630422
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135650785
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135650781
N'-[(1E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 135439754
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]propanehydrazide
CID 135517113
N'-[(1E)-1-(4-hydroxyphenyl)ethylidene]-2-(4-nitro-1H-pyrazol-1-yl)acetohydrazide
CID 135630547
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135517126
(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-acetic acid [1-(4-hydroxy-phenyl)-eth-(E)-ylidene]-hydrazide
CID 135517115
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(5-nitroindazol-1-yl)acetamide
CID 135908154
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135521475) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is BNTRVQVADDUYIL-VIZOYTHASA-N. The full InChI is InChI=1S/C14H15N5O4/c1-9-5-10(2)18(17-9)8-14(21)16-15-7-11-6-12(19(22)23)3-4-13(11)20/h3-7,20H,8H2,1-2H3,(H,16,21)/b15-7+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 317.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135521475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).