N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride

C10H18ClN5O3 — CID 120652830

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-3-11-8(2)6-12-10(16)7-14-5-4-9(13-14)15(17)18;/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,16);1H/t8-;/m1./s1
InChIKeyRPCCAUXXZJGLDL-DDWIOCJRSA-N
MW291.74 g/mol
LogP0.33
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride (PubChem CID 120652830) has the molecular formula C10H18ClN5O3 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
PubChem CID120652830
Molecular FormulaC10H18ClN5O3
Molecular Weight291.74 g/mol
Exact Mass291.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-3-11-8(2)6-12-10(16)7-14-5-4-9(13-14)15(17)18;/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,16);1H/t8-;/m1./s1
InChIKeyRPCCAUXXZJGLDL-DDWIOCJRSA-N
XLogP0.33
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 50.33
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'}

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
N-(3-methoxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521736
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115767353
3-hydroxy-3-methyl-4-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 66003089

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride (CID 120652830) is N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride is CCN[C@H](C)CNC(=O)Cn1ccc([N+](=O)[O-])n1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride?
The InChIKey is RPCCAUXXZJGLDL-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H17N5O3.ClH/c1-3-11-8(2)6-12-10(16)7-14-5-4-9(13-14)15(17)18;/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,16);1H/t8-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120652830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).