N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide

C11H16N4O4 — CID 62359969

IUPACN-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1O
InChIInChI=1S/C11H16N4O4/c16-9-4-2-1-3-8(9)12-11(17)7-14-6-5-10(13-14)15(18)19/h5-6,8-9,16H,1-4,7H2,(H,12,17)
InChIKeyCZHWMJXQVAOSPL-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.21
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 62359969) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID62359969
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1O
InChIInChI=1S/C11H16N4O4/c16-9-4-2-1-3-8(9)12-11(17)7-14-6-5-10(13-14)15(18)19/h5-6,8-9,16H,1-4,7H2,(H,12,17)
InChIKeyCZHWMJXQVAOSPL-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

N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521562
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 114630924
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 94609543
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 103280278
N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115878161
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
N-(2-ethyl-2-hydroxybutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 65114080
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 25417352
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 47061410
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 62359969) is N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is CZHWMJXQVAOSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9-4-2-1-3-8(9)12-11(17)7-14-6-5-10(13-14)15(18)19/h5-6,8-9,16H,1-4,7H2,(H,12,17).
What are the key properties of N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(2-hydroxycyclohexyl)-2-(3-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-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 62359969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).