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

C13H20N4O3 — CID 752935

IUPACN-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-10-8-12(17(19)20)14-16(10)9-13(18)15(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyTWPNYGOABWLXCC-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 752935) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID752935
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H20N4O3/c1-10-8-12(17(19)20)14-16(10)9-13(18)15(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyTWPNYGOABWLXCC-UHFFFAOYSA-N
XLogP1.89
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
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

1-(3,5-Dimethylpyrazolyl)-2-(5-methyl-3-nitropyrazolyl)ethan-1-one
CID 1508889
2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 2842286
N-cyclohexyl-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 5055739
4-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)morpholine
CID 674776
N-Cyclohexyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 749619
2-(5-Methyl-3,4-dinitro-pyrazol-1-yl)-1-piperidin-1-yl-ethanone
CID 566403
N-cycloheptyl-3-{3-nitro-5-methyl-1H-pyrazol-1-yl}propanamide
CID 843625
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 749077
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 1101532
2-(4-Bromo-5-methyl-3-nitropyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 2884302
2-(5-Methyl-3-nitropyrazolyl)-1-(4-methylpiperazinyl)ethan-1-one
CID 3099444
1-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-2-methylpiperidine
CID 3887419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 752935) is N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is TWPNYGOABWLXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-8-12(17(19)20)14-16(10)9-13(18)15(2)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 752935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).