N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C12H18N4O3 — CID 749619

IUPACN-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c1-9-7-11(16(18)19)14-15(9)8-12(17)13-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,17)
InChIKeyICMKCODZEGIFFK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds4

About N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 749619) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID749619
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c1-9-7-11(16(18)19)14-15(9)8-12(17)13-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,17)
InChIKeyICMKCODZEGIFFK-UHFFFAOYSA-N
XLogP1.55
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4774730
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide
CID 99619640
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19521275
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 100648201
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
methyl 4-[[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate
CID 5301199

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 749619) is N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is ICMKCODZEGIFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-7-11(16(18)19)14-15(9)8-12(17)13-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,17).
What are the key properties of N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 749619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).