N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide

C10H16N4O4 — CID 115771713

IUPACN-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCN(CCCO)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-2-12(5-3-7-15)10(16)8-13-6-4-9(11-13)14(17)18/h4,6,15H,2-3,5,7-8H2,1H3
InChIKeyCLCMJYOPQKYJGI-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.02
Rot. Bonds7

About N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide

N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 115771713) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID115771713
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCN(CCCO)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-2-12(5-3-7-15)10(16)8-13-6-4-9(11-13)14(17)18/h4,6,15H,2-3,5,7-8H2,1H3
InChIKeyCLCMJYOPQKYJGI-UHFFFAOYSA-N
XLogP0.02
TPSA101.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.02
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-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 62113767
methyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]-propylamino]acetate
CID 62112259
1-(3-nitropyrazol-1-yl)pentan-2-one
CID 62041636
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
2-[butan-2-yl-[2-(3-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 62112257
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115767353
1-heptyl-3-nitropyrazole
CID 50999822
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
ethyl (E)-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]but-2-enoate
CID 19521688
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19460595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 115771713) is N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide is CCN(CCCO)C(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is CLCMJYOPQKYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-2-12(5-3-7-15)10(16)8-13-6-4-9(11-13)14(17)18/h4,6,15H,2-3,5,7-8H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 256.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 115771713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).