N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide

C11H18N4O4 — CID 19539270

IUPACN-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C11H18N4O4/c1-8-10(15(17)18)7-13-14(8)9(2)11(16)12-5-4-6-19-3/h7,9H,4-6H2,1-3H3,(H,12,16)
InChIKeyLBCFUUJRJLQUBY-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.81
Rot. Bonds7

About N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide

N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539270) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539270
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCOCCCNC(=O)C(C)n1ncc([N+](=O)[O-])c1C
InChIInChI=1S/C11H18N4O4/c1-8-10(15(17)18)7-13-14(8)9(2)11(16)12-5-4-6-19-3/h7,9H,4-6H2,1-3H3,(H,12,16)
InChIKeyLBCFUUJRJLQUBY-UHFFFAOYSA-N
XLogP0.81
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(5-methyl-4-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19539197
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
2-(5-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393595
N-[(1-ethylpyrazol-3-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539198
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539255
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19296913
propan-2-yl 1-ethyl-4-[2-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate
CID 19404570
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539280
N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553640
ethyl 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate
CID 103105166
2-(5-methyl-4-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539200
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539270) is N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide is COCCCNC(=O)C(C)n1ncc([N+](=O)[O-])c1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is LBCFUUJRJLQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-8-10(15(17)18)7-13-14(8)9(2)11(16)12-5-4-6-19-3/h7,9H,4-6H2,1-3H3,(H,12,16).
What are the key properties of N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 270.29 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).