N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C17H16N6O5 — CID 5195767

IUPACN-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C17H16N6O5/c1-10(8-21-16(25)12-5-3-4-6-13(12)17(21)26)18-19-15(24)9-22-11(2)7-14(20-22)23(27)28/h3-7H,8-9H2,1-2H3,(H,19,24)
InChIKeyXAIIRSHNOXKXSD-UHFFFAOYSA-N
MW384.35 g/mol
LogP0.89
Rot. Bonds6

About N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 5195767) has the molecular formula C17H16N6O5 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID5195767
Molecular FormulaC17H16N6O5
Molecular Weight384.35 g/mol
Exact Mass384.12
IUPAC NameN-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C17H16N6O5/c1-10(8-21-16(25)12-5-3-4-6-13(12)17(21)26)18-19-15(24)9-22-11(2)7-14(20-22)23(27)28/h3-7H,8-9H2,1-2H3,(H,19,24)
InChIKeyXAIIRSHNOXKXSD-UHFFFAOYSA-N
XLogP0.89
TPSA139.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(Z)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide
CID 6153464
2,4-dihydroxy-N-[(Z)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide
CID 5416406
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 124848723
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 5301950
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 100648201
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19521318
methyl 4-[[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]methyl]benzoate
CID 5301199
2-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 4555387

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 5195767) is N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is CC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)Cn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is XAIIRSHNOXKXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O5/c1-10(8-21-16(25)12-5-3-4-6-13(12)17(21)26)18-19-15(24)9-22-11(2)7-14(20-22)23(27)28/h3-7H,8-9H2,1-2H3,(H,19,24).
What are the key properties of N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 384.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-2-yl)propan-2-ylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 5195767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).