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

C12H20N4O4 — CID 19553640

IUPACN-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCOC)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H20N4O4/c1-4-10(12(17)13-6-5-7-20-3)15-9(2)8-11(14-15)16(18)19/h8,10H,4-7H2,1-3H3,(H,13,17)
InChIKeyUCOYXZBDOLSHCX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.20
Rot. Bonds8

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

N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide (PubChem CID 19553640) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
PubChem CID19553640
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
SMILESCCC(C(=O)NCCCOC)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H20N4O4/c1-4-10(12(17)13-6-5-7-20-3)15-9(2)8-11(14-15)16(18)19/h8,10H,4-7H2,1-3H3,(H,13,17)
InChIKeyUCOYXZBDOLSHCX-UHFFFAOYSA-N
XLogP1.20
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.20
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'}

Analyze N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(diethylamino)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553643
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 7026070
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19330957
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19553609
N-(1-ethyl-5-methylpyrazol-4-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553584
N-(2-fluoro-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553458
ethyl 1-methyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate
CID 19553613
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553492
2-(5-methyl-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]butanamide
CID 19553660
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide (CID 19553640) is N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide is CCC(C(=O)NCCCOC)n1nc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide?
The InChIKey is UCOYXZBDOLSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-10(12(17)13-6-5-7-20-3)15-9(2)8-11(14-15)16(18)19/h8,10H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide?
N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide has a molecular weight of 284.32 g/mol, XLogP of 1.20, 8 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-3-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 19553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).