N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride

C9H16ClN5O3 — CID 120829486

IUPACN-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C9H15N5O3.ClH/c1-7(10-2)3-11-9(15)6-13-5-8(4-12-13)14(16)17;/h4-5,7,10H,3,6H2,1-2H3,(H,11,15);1H
InChIKeyRWIYRXUISVPFNH-UHFFFAOYSA-N
MW277.71 g/mol
LogP-0.06
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride (PubChem CID 120829486) has the molecular formula C9H16ClN5O3 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
PubChem CID120829486
Molecular FormulaC9H16ClN5O3
Molecular Weight277.71 g/mol
Exact Mass277.09
IUPAC NameN-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1.Cl
InChIInChI=1S/C9H15N5O3.ClH/c1-7(10-2)3-11-9(15)6-13-5-8(4-12-13)14(16)17;/h4-5,7,10H,3,6H2,1-2H3,(H,11,15);1H
InChIKeyRWIYRXUISVPFNH-UHFFFAOYSA-N
XLogP-0.06
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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'}

Analyze N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride 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-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-[(2S)-3-methyl-2-phenylbutyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35015141
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-(2-hydroxy-2-methylbutyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 65110193
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride (CID 120829486) is N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride is CNC(C)CNC(=O)Cn1cc([N+](=O)[O-])cn1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride?
The InChIKey is RWIYRXUISVPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3.ClH/c1-7(10-2)3-11-9(15)6-13-5-8(4-12-13)14(16)17;/h4-5,7,10H,3,6H2,1-2H3,(H,11,15);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120829486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).