2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

C6H7N5O5 — CID 171981638

IUPAC2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7N5O5/c1-3-5(10(13)14)6(11(15)16)8-9(3)2-4(7)12/h2H2,1H3,(H2,7,12)
InChIKeyKRYCZPWLLMORSO-UHFFFAOYSA-N
MW229.15 g/mol
LogP-0.51
Rot. Bonds4

About 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide

2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (PubChem CID 171981638) has the molecular formula C6H7N5O5 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
PubChem CID171981638
Molecular FormulaC6H7N5O5
Molecular Weight229.15 g/mol
Exact Mass229.04
IUPAC Name2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7N5O5/c1-3-5(10(13)14)6(11(15)16)8-9(3)2-4(7)12/h2H2,1H3,(H2,7,12)
InChIKeyKRYCZPWLLMORSO-UHFFFAOYSA-N
XLogP-0.51
TPSA147.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 19529994
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19529942
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl chloride
CID 83813704
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N'-hydroxyethanimidamide
CID 51852290
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
N-[1-(dipentylamino)propan-2-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529940
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529862
3,4-dinitro-1-(2-oxopropyl)pyrazole-5-carboxylic acid
CID 171665738
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19529833
2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 4669970
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530011
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
CID 19530017

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The IUPAC name of 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (CID 171981638) is 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The canonical SMILES for 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(N)=O.
What is the InChIKey of 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The InChIKey is KRYCZPWLLMORSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O5/c1-3-5(10(13)14)6(11(15)16)8-9(3)2-4(7)12/h2H2,1H3,(H2,7,12).
What are the key properties of 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide has a molecular weight of 229.15 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is sourced from PubChem (CID 171981638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).