2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C13H20N4O4 — CID 2984724

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCC2CCCO2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4/c1-8-12(17(19)20)9(2)16(15-8)10(3)13(18)14-7-11-5-4-6-21-11/h10-11H,4-7H2,1-3H3,(H,14,18)
InChIKeyZBVIZKKEENXYKH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.26
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2984724) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2984724
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1nn(C(C)C(=O)NCC2CCCO2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4/c1-8-12(17(19)20)9(2)16(15-8)10(3)13(18)14-7-11-5-4-6-21-11/h10-11H,4-7H2,1-3H3,(H,14,18)
InChIKeyZBVIZKKEENXYKH-UHFFFAOYSA-N
XLogP1.26
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
4-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)morpholine
CID 749623
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 749080
4-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]morpholine
CID 2983582
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2860085
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-propylacetamide
CID 1730635
N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2708899

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 2984724) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1nn(C(C)C(=O)NCC2CCCO2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZBVIZKKEENXYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-12(17(19)20)9(2)16(15-8)10(3)13(18)14-7-11-5-4-6-21-11/h10-11H,4-7H2,1-3H3,(H,14,18).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2984724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).