3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide

C13H13N5O5 — CID 19568122

IUPAC3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O5/c1-9-12(18(22)23)8-14-16(9)7-6-13(19)15-10-4-2-3-5-11(10)17(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeySOPQZWSVACAOOD-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.04
Rot. Bonds6

About 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide

3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide (PubChem CID 19568122) has the molecular formula C13H13N5O5 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
PubChem CID19568122
Molecular FormulaC13H13N5O5
Molecular Weight319.28 g/mol
Exact Mass319.09
IUPAC Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O5/c1-9-12(18(22)23)8-14-16(9)7-6-13(19)15-10-4-2-3-5-11(10)17(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)
InChIKeySOPQZWSVACAOOD-UHFFFAOYSA-N
XLogP2.04
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.04
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

3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
CID 19568070
N-(2-nitrophenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 122157420
1-methyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylic acid
CID 19406107
N-(4-methyl-3,5-dinitrophenyl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568150
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19337548
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19568038
dimethyl 5-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 19567985
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568021
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4866924
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide (CID 19568122) is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide is Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide?
The InChIKey is SOPQZWSVACAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5/c1-9-12(18(22)23)8-14-16(9)7-6-13(19)15-10-4-2-3-5-11(10)17(20)21/h2-5,8H,6-7H2,1H3,(H,15,19).
What are the key properties of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide?
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide has a molecular weight of 319.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 19568122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).