2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

C17H14N6O6 — CID 3099446

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N6O6/c1-11-5-16(23(27)28)20-21(11)10-17(24)19-12-6-13(22(25)26)8-15(7-12)29-14-3-2-4-18-9-14/h2-9H,10H2,1H3,(H,19,24)
InChIKeyPQZQFTNUSFRXBB-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.83
Rot. Bonds7

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (PubChem CID 3099446) has the molecular formula C17H14N6O6 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
PubChem CID3099446
Molecular FormulaC17H14N6O6
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H14N6O6/c1-11-5-16(23(27)28)20-21(11)10-17(24)19-12-6-13(22(25)26)8-15(7-12)29-14-3-2-4-18-9-14/h2-9H,10H2,1H3,(H,19,24)
InChIKeyPQZQFTNUSFRXBB-UHFFFAOYSA-N
XLogP2.83
TPSA155.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

4-nitro-N-[3-nitro-5-(3-pyridinyloxy)phenyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 3115024
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860587
4-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)butanamide
CID 12004776
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1100794
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 4564531
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 2860824
N-(3-methoxy-5-nitrophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 2172504
N-[3-(5-chloropyridin-3-yl)oxy-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 2257411
N-(3-nitro-5-pyridin-3-yloxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 2857823
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[3-phenoxy-5-(pyridin-3-yloxy)phenyl]acetamide
CID 3099438
N-(3-nitro-5-(3-pyridyloxy)phenyl)-2-(4-nitroimidazolyl)acetamide
CID 3103706
2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide
CID 3104815

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (CID 3099446) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is PQZQFTNUSFRXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O6/c1-11-5-16(23(27)28)20-21(11)10-17(24)19-12-6-13(22(25)26)8-15(7-12)29-14-3-2-4-18-9-14/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 398.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 3099446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).