4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine

C9H10N6O4 — CID 22332290

IUPAC4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine
SMILESO=[N+]([O-])c1c(N2CCOCC2)n[nH]c1-c1nnco1
InChIInChI=1S/C9H10N6O4/c16-15(17)7-6(9-13-10-5-19-9)11-12-8(7)14-1-3-18-4-2-14/h5H,1-4H2,(H,11,12)
InChIKeyZHUAMZACUCKXOA-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.20
Rot. Bonds3

About 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine

4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine (PubChem CID 22332290) has the molecular formula C9H10N6O4 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine
PubChem CID22332290
Molecular FormulaC9H10N6O4
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Name4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine
SMILESO=[N+]([O-])c1c(N2CCOCC2)n[nH]c1-c1nnco1
InChIInChI=1S/C9H10N6O4/c16-15(17)7-6(9-13-10-5-19-9)11-12-8(7)14-1-3-18-4-2-14/h5H,1-4H2,(H,11,12)
InChIKeyZHUAMZACUCKXOA-UHFFFAOYSA-N
XLogP0.20
TPSA123.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
CID 19827688
4-(3,5-dinitro-2-pyridinyl)morpholine
CID 2847997
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
3-morpholin-4-yl-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102632
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-dimorpholin-4-ylpyrimidin-5-amine;4-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-yl-5-nitropyrimidin-4-yl]morpholine
CID 161436210
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
CID 10635583
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620

Frequently Asked Questions

What is the IUPAC name of 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine?
The IUPAC name of 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine (CID 22332290) is 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine?
The canonical SMILES for 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine is O=[N+]([O-])c1c(N2CCOCC2)n[nH]c1-c1nnco1.
What is the InChIKey of 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine?
The InChIKey is ZHUAMZACUCKXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4/c16-15(17)7-6(9-13-10-5-19-9)11-12-8(7)14-1-3-18-4-2-14/h5H,1-4H2,(H,11,12).
What are the key properties of 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine?
4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine has a molecular weight of 266.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-nitro-5-(1,3,4-oxadiazol-2-yl)-1H-pyrazol-3-yl]morpholine is sourced from PubChem (CID 22332290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).