N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide

C12H21N5O3 — CID 119658585

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H21N5O3/c1-9(2)11(13)4-5-15(3)12(18)8-16-7-10(6-14-16)17(19)20/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyXYOYAWMBINUITL-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.62
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide

N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 119658585) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID119658585
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H21N5O3/c1-9(2)11(13)4-5-15(3)12(18)8-16-7-10(6-14-16)17(19)20/h6-7,9,11H,4-5,8,13H2,1-3H3
InChIKeyXYOYAWMBINUITL-UHFFFAOYSA-N
XLogP0.62
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.62
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-(3-amino-4-methylpentyl)-N,2-dimethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 119661321
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide
CID 119653864
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
2-[[2-(4-nitropyrazol-1-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831883
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-[carboxymethyl-[2-(4-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 63645061
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 122132337
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
N-(2,2-diethoxyethyl)-N-ethyl-2-(4-nitropyrazol-1-yl)acetamide
CID 126824065

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide (CID 119658585) is N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide is CC(C)C(N)CCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is XYOYAWMBINUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-9(2)11(13)4-5-15(3)12(18)8-16-7-10(6-14-16)17(19)20/h6-7,9,11H,4-5,8,13H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 119658585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).