2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

C13H18N6O3 — CID 19564188

IUPAC2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(Cn1cc([N+](=O)[O-])cn1)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H18N6O3/c1-11(9-18-10-12(8-16-18)19(21)22)13(20)14-4-2-6-17-7-3-5-15-17/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,14,20)
InChIKeyVWGKJVLCYPEHQK-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.83
Rot. Bonds8

About 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 19564188) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID19564188
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(Cn1cc([N+](=O)[O-])cn1)C(=O)NCCCn1cccn1
InChIInChI=1S/C13H18N6O3/c1-11(9-18-10-12(8-16-18)19(21)22)13(20)14-4-2-6-17-7-3-5-15-17/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,14,20)
InChIKeyVWGKJVLCYPEHQK-UHFFFAOYSA-N
XLogP0.83
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]butanoyl chloride
CID 19562474
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19564176
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
CID 154229757
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562440
2-methyl-N-(4-nitrophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 19562392
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
N-[(3,4-diethoxyphenyl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562533
N-[1-(1-adamantyl)propyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562491
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
N-(2-hydroxy-4-nitrophenyl)-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19564203
ethyl (E)-3-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]but-2-enoate
CID 19564127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide (CID 19564188) is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide is CC(Cn1cc([N+](=O)[O-])cn1)C(=O)NCCCn1cccn1.
What is the InChIKey of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is VWGKJVLCYPEHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-11(9-18-10-12(8-16-18)19(21)22)13(20)14-4-2-6-17-7-3-5-15-17/h3,5,7-8,10-11H,2,4,6,9H2,1H3,(H,14,20).
What are the key properties of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide?
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 306.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 19564188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).