2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole

C11H10N8O6 — CID 19542274

IUPAC2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCOc1n[nH]c(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N8O6/c1-24-11-9(19(22)23)8(14-16-11)10-15-13-7(25-10)2-3-17-5-6(4-12-17)18(20)21/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyGNBBHBIVOGOOSL-UHFFFAOYSA-N
MW350.25 g/mol
LogP0.72
Rot. Bonds7

About 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole

2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 19542274) has the molecular formula C11H10N8O6 and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID19542274
Molecular FormulaC11H10N8O6
Molecular Weight350.25 g/mol
Exact Mass350.07
IUPAC Name2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCOc1n[nH]c(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N8O6/c1-24-11-9(19(22)23)8(14-16-11)10-15-13-7(25-10)2-3-17-5-6(4-12-17)18(20)21/h4-5H,2-3H2,1H3,(H,14,16)
InChIKeyGNBBHBIVOGOOSL-UHFFFAOYSA-N
XLogP0.72
TPSA180.93 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole 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-(4-iodo-1-methylpyrazol-3-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19540468
2-[5-[(4-iodophenoxy)methyl]furan-2-yl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542159
2-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552412
2-[5-(1,3-benzodioxol-5-yloxymethyl)furan-2-yl]-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552796
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-[2-(4-nitropyrazol-1-yl)ethyl]-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]-1,3,4-oxadiazole
CID 19542427
2-[(4-nitropyrazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 19542358
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
1-butyl-4-nitropyrazole
CID 50999673
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
2-methoxy-3-[(4-nitropyrazol-1-yl)methyl]pyrazine
CID 168936174

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole (CID 19542274) is 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole is COc1n[nH]c(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is GNBBHBIVOGOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O6/c1-24-11-9(19(22)23)8(14-16-11)10-15-13-7(25-10)2-3-17-5-6(4-12-17)18(20)21/h4-5H,2-3H2,1H3,(H,14,16).
What are the key properties of 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole?
2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 350.25 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitro-1H-pyrazol-5-yl)-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).