N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide

C9H14N4O4 — CID 19521736

IUPACN-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H14N4O4/c1-17-6-2-4-10-9(14)7-12-5-3-8(11-12)13(15)16/h3,5H,2,4,6-7H2,1H3,(H,10,14)
InChIKeyOSQVHIWZOIQUTA-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.06
Rot. Bonds7

About N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521736) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521736
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCOCCCNC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H14N4O4/c1-17-6-2-4-10-9(14)7-12-5-3-8(11-12)13(15)16/h3,5H,2,4,6-7H2,1H3,(H,10,14)
InChIKeyOSQVHIWZOIQUTA-UHFFFAOYSA-N
XLogP-0.06
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.06
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

N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 48506880
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47061410
N-[2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 99334516
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 19521736) is N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide is COCCCNC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is OSQVHIWZOIQUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-17-6-2-4-10-9(14)7-12-5-3-8(11-12)13(15)16/h3,5H,2,4,6-7H2,1H3,(H,10,14).
What are the key properties of N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 242.23 g/mol, XLogP of -0.06, 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-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).