2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C11H14N6O3 — CID 115592981

IUPAC2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-7(2)9-3-10(15-14-9)13-11(18)6-16-5-8(4-12-16)17(19)20/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18)
InChIKeyWVCATYSISKOSSC-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115592981) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115592981
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1
InChIInChI=1S/C11H14N6O3/c1-7(2)9-3-10(15-14-9)13-11(18)6-16-5-8(4-12-16)17(19)20/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18)
InChIKeyWVCATYSISKOSSC-UHFFFAOYSA-N
XLogP1.28
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474344
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
3-bromo-5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115744337
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115592981) is 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WVCATYSISKOSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-7(2)9-3-10(15-14-9)13-11(18)6-16-5-8(4-12-16)17(19)20/h3-5,7H,6H2,1-2H3,(H2,13,14,15,18).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 278.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115592981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).