N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide

C14H20N6O3 — CID 19540165

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCn1ccc(CN(C)C(=O)C(C)Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C14H20N6O3/c1-4-18-6-5-12(16-18)9-17(3)14(21)11(2)8-19-10-13(7-15-19)20(22)23/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyXRYUVKRZOSGFDQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.30
Rot. Bonds7

About N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide

N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 19540165) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID19540165
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCn1ccc(CN(C)C(=O)C(C)Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C14H20N6O3/c1-4-18-6-5-12(16-18)9-17(3)14(21)11(2)8-19-10-13(7-15-19)20(22)23/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyXRYUVKRZOSGFDQ-UHFFFAOYSA-N
XLogP1.30
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide 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-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 19515238
N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 19449830
2-methyl-N-(4-nitrophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 19562392
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(4-nitropyrazol-1-yl)butanamide
CID 19553692
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19531270
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19564188
1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one
CID 19540253
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19570486
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531240
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531246
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449926

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide (CID 19540165) is N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide is CCn1ccc(CN(C)C(=O)C(C)Cn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is XRYUVKRZOSGFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-4-18-6-5-12(16-18)9-17(3)14(21)11(2)8-19-10-13(7-15-19)20(22)23/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N,2-dimethyl-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19540165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).