N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

C13H23N5O3 — CID 19530701

IUPACN-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1nc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O3/c1-4-16(5-2)8-6-7-14-12(19)10-17-13(18(20)21)9-11(3)15-17/h9H,4-8,10H2,1-3H3,(H,14,19)
InChIKeyHWHDIUNYWZHMCJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.95
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (PubChem CID 19530701) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
PubChem CID19530701
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC NameN-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1nc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O3/c1-4-16(5-2)8-6-7-14-12(19)10-17-13(18(20)21)9-11(3)15-17/h9H,4-8,10H2,1-3H3,(H,14,19)
InChIKeyHWHDIUNYWZHMCJ-UHFFFAOYSA-N
XLogP0.95
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.95
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-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide 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

2-(3-methyl-5-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]acetamide
CID 19530624
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530708
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
dimethyl 5-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 19530422
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17405209
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530683
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxypropyl)acetamide
CID 43390149
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 19516733
N-[3-(diethylamino)propyl]-2-(4-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884483
N-[3-(diethylamino)propyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551809

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (CID 19530701) is N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is CCN(CC)CCCNC(=O)Cn1nc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The InChIKey is HWHDIUNYWZHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-4-16(5-2)8-6-7-14-12(19)10-17-13(18(20)21)9-11(3)15-17/h9H,4-8,10H2,1-3H3,(H,14,19).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19530701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).