N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide

C10H16N4O4 — CID 62113767

IUPACN-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-8(2)13(5-6-15)10(16)7-12-4-3-9(11-12)14(17)18/h3-4,8,15H,5-7H2,1-2H3
InChIKeyHANSBHAMKGOJCQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.02
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 62113767) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID62113767
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC NameN-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O4/c1-8(2)13(5-6-15)10(16)7-12-4-3-9(11-12)14(17)18/h3-4,8,15H,5-7H2,1-2H3
InChIKeyHANSBHAMKGOJCQ-UHFFFAOYSA-N
XLogP0.02
TPSA101.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

2-[butan-2-yl-[2-(3-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 62112257
N-ethyl-N-(3-hydroxypropyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115771713
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
methyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]-propylamino]acetate
CID 62112259
1-(3-nitropyrazol-1-yl)pentan-2-one
CID 62041636
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-(1-hydroxypentan-3-yl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115767353
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947950

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide (CID 62113767) is N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is HANSBHAMKGOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-8(2)13(5-6-15)10(16)7-12-4-3-9(11-12)14(17)18/h3-4,8,15H,5-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 256.26 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-nitropyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 62113767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).