N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

C15H24N4O3 — CID 4774730

IUPACN-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CC(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H24N4O3/c1-11(10-18-12(2)9-14(17-18)19(21)22)15(20)16-13-7-5-3-4-6-8-13/h9,11,13H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyZLMOUQUKDBAFBT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.57
Rot. Bonds5

About N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 4774730) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID4774730
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CC(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C15H24N4O3/c1-11(10-18-12(2)9-14(17-18)19(21)22)15(20)16-13-7-5-3-4-6-8-13/h9,11,13H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyZLMOUQUKDBAFBT-UHFFFAOYSA-N
XLogP2.57
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.57
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-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 124763019
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568243
ethyl (E)-3-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]but-2-enoate
CID 19568376
(2R)-N-(2,5-difluorophenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 51390873
N-(1,3-benzodioxol-5-yl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4775008
(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 51391159
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568324
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4774933
N-(4-bromo-2-fluorophenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4867115
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568366

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 4774730) is N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is Cc1cc([N+](=O)[O-])nn1CC(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is ZLMOUQUKDBAFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(10-18-12(2)9-14(17-18)19(21)22)15(20)16-13-7-5-3-4-6-8-13/h9,11,13H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4774730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).