N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

C13H20N4O3 — CID 2708899

IUPACN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-9-13(17(19)20)10(2)16(15-9)8-12(18)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,18)
InChIKeyOYXLSNQIEFVFHQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.86
Rot. Bonds4

About N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 2708899) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID2708899
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-9-13(17(19)20)10(2)16(15-9)8-12(18)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,18)
InChIKeyOYXLSNQIEFVFHQ-UHFFFAOYSA-N
XLogP1.86
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.86
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'}

Analyze N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 2569974
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2984724
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 7277783
N-cyclopentyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9291211
N-cyclohexyl-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 831737
2-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3145049
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 9363225
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 1258999
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 1720543
Methyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]acetate
CID 2077906
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5040743
N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide
CID 7886435

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 2708899) is N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is OYXLSNQIEFVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-13(17(19)20)10(2)16(15-9)8-12(18)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,18).
What are the key properties of N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).