N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide

C9H14N4O4 — CID 35562414

IUPACN-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCOC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O4/c1-7(6-17-2)11-9(14)5-12-4-8(3-10-12)13(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,14)/t7-/m1/s1
InChIKeyOOMDXQWHFRMTRP-SSDOTTSWSA-N
MW242.23 g/mol
LogP-0.06
Rot. Bonds6

About N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide

N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 35562414) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID35562414
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCOC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H14N4O4/c1-7(6-17-2)11-9(14)5-12-4-8(3-10-12)13(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,14)/t7-/m1/s1
InChIKeyOOMDXQWHFRMTRP-SSDOTTSWSA-N
XLogP-0.06
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.06
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'}

Analyze N-[(2R)-1-methoxypropan-2-yl]-2-(4-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

methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
methyl 2-[3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]propanoate
CID 126815110
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 126827824
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide (CID 35562414) is N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide is COC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is OOMDXQWHFRMTRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-7(6-17-2)11-9(14)5-12-4-8(3-10-12)13(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,14)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide?
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 242.23 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 35562414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).