N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide

C11H16N4O4 — CID 43417279

IUPACN-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NC1CCC(O)CC1
InChIInChI=1S/C11H16N4O4/c16-10-3-1-8(2-4-10)13-11(17)7-14-6-9(5-12-14)15(18)19/h5-6,8,10,16H,1-4,7H2,(H,13,17)
InChIKeyAXOSJFUFTLKUDK-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.21
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 43417279) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID43417279
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NC1CCC(O)CC1
InChIInChI=1S/C11H16N4O4/c16-10-3-1-8(2-4-10)13-11(17)7-14-6-9(5-12-14)15(18)19/h5-6,8,10,16H,1-4,7H2,(H,13,17)
InChIKeyAXOSJFUFTLKUDK-UHFFFAOYSA-N
XLogP0.21
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.21
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

cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676054
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 120575393
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 106672071
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
N-(1-adamantylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516008
N-(1,2-dimethylcyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 122152287
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-[(2-methylpropan-2-yl)oxy]-2-(4-nitropyrazol-1-yl)acetamide
CID 82726511

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 43417279) is N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is AXOSJFUFTLKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-10-3-1-8(2-4-10)13-11(17)7-14-6-9(5-12-14)15(18)19/h5-6,8,10,16H,1-4,7H2,(H,13,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 43417279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).