N-(1-methyl-4-nitropyrazol-3-yl)acetamide

C6H8N4O3 — CID 15166017

IUPACN-(1-methyl-4-nitropyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-4(11)7-6-5(10(12)13)3-9(2)8-6/h3H,1-2H3,(H,7,8,11)
InChIKeyIEEQTDOZDRTVQP-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.29
Rot. Bonds2

About N-(1-methyl-4-nitropyrazol-3-yl)acetamide

N-(1-methyl-4-nitropyrazol-3-yl)acetamide (PubChem CID 15166017) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(1-methyl-4-nitropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-4-nitropyrazol-3-yl)acetamide
PubChem CID15166017
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC NameN-(1-methyl-4-nitropyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C6H8N4O3/c1-4(11)7-6-5(10(12)13)3-9(2)8-6/h3H,1-2H3,(H,7,8,11)
InChIKeyIEEQTDOZDRTVQP-UHFFFAOYSA-N
XLogP0.29
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.29
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 N-(1-methyl-4-nitropyrazol-3-yl)acetamide?
The IUPAC name of N-(1-methyl-4-nitropyrazol-3-yl)acetamide (CID 15166017) is N-(1-methyl-4-nitropyrazol-3-yl)acetamide.
What is the SMILES notation for N-(1-methyl-4-nitropyrazol-3-yl)acetamide?
The canonical SMILES for N-(1-methyl-4-nitropyrazol-3-yl)acetamide is CC(=O)Nc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(1-methyl-4-nitropyrazol-3-yl)acetamide?
The InChIKey is IEEQTDOZDRTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-4(11)7-6-5(10(12)13)3-9(2)8-6/h3H,1-2H3,(H,7,8,11).
What are the key properties of N-(1-methyl-4-nitropyrazol-3-yl)acetamide?
N-(1-methyl-4-nitropyrazol-3-yl)acetamide has a molecular weight of 184.16 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-nitropyrazol-3-yl)acetamide is sourced from PubChem (CID 15166017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).