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

C10H16N4O3 — CID 749077

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCC(C)C
InChIInChI=1S/C10H16N4O3/c1-7(2)5-11-10(15)6-13-8(3)4-9(12-13)14(16)17/h4,7H,5-6H2,1-3H3,(H,11,15)
InChIKeyIKHGJZHTTDFNLU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.87
Rot. Bonds5

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

2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 749077) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID749077
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)NCC(C)C
InChIInChI=1S/C10H16N4O3/c1-7(2)5-11-10(15)6-13-8(3)4-9(12-13)14(16)17/h4,7H,5-6H2,1-3H3,(H,11,15)
InChIKeyIKHGJZHTTDFNLU-UHFFFAOYSA-N
XLogP0.87
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.87
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-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 5055739
N-Cyclohexyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 749619
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3099445
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 702237
N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 3104807
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
CID 3106236
2-(5-Methyl-3,4-dinitro-pyrazol-1-yl)-N-propyl-acetamide
CID 3104806
N-cycloheptyl-3-{3-nitro-5-methyl-1H-pyrazol-1-yl}propanamide
CID 843625
N-Cyclohexyl-N-methyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 752935
N-sec-Butyl-2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 3099435
2-(4-Bromo-5-methyl-3-nitro-1H-pyrazol-1-YL)-N-isopropylacetamide
CID 749069
2-(5-Methyl-3-nitropyrazolyl)-1-(4-methylpiperazinyl)ethan-1-one
CID 3099444

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide (CID 749077) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)NCC(C)C.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is IKHGJZHTTDFNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(2)5-11-10(15)6-13-8(3)4-9(12-13)14(16)17/h4,7H,5-6H2,1-3H3,(H,11,15).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 240.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 749077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).