N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide

C14H15N5O4 — CID 87044112

IUPACN-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O4/c1-3-9-4-5-10(6-12(9)19(22)23)16-13(20)14(21)17-11-7-15-18(2)8-11/h4-8H,3H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyFFBNIHCBUFJYIH-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.47
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide

N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide (PubChem CID 87044112) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
PubChem CID87044112
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O4/c1-3-9-4-5-10(6-12(9)19(22)23)16-13(20)14(21)17-11-7-15-18(2)8-11/h4-8H,3H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyFFBNIHCBUFJYIH-UHFFFAOYSA-N
XLogP1.47
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257
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CID 76992988
N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
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CID 34655093
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
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5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide
CID 39570883
N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 86995657

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide (CID 87044112) is N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide?
The InChIKey is FFBNIHCBUFJYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-3-9-4-5-10(6-12(9)19(22)23)16-13(20)14(21)17-11-7-15-18(2)8-11/h4-8H,3H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide?
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide has a molecular weight of 317.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide is sourced from PubChem (CID 87044112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).