2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide

C10H16N4O3 — CID 1258999

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-6(2)11-9(15)5-13-8(4)10(14(16)17)7(3)12-13/h6H,5H2,1-4H3,(H,11,15)
InChIKeyIYPYUAVHVLCQFB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.93
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 1258999) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID1258999
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-6(2)11-9(15)5-13-8(4)10(14(16)17)7(3)12-13/h6H,5H2,1-4H3,(H,11,15)
InChIKeyIYPYUAVHVLCQFB-UHFFFAOYSA-N
XLogP0.93
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide (CID 1258999) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide is Cc1nn(CC(=O)NC(C)C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is IYPYUAVHVLCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)11-9(15)5-13-8(4)10(14(16)17)7(3)12-13/h6H,5H2,1-4H3,(H,11,15).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 240.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 1258999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).