5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

C9H5N5O3S — CID 19332769

IUPAC5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C9H5N5O3S/c15-14(16)5-4-10-12-7(5)9-11-8(13-17-9)6-2-1-3-18-6/h1-4H,(H,10,12)
InChIKeyQVLVRFJRDRMLFG-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.10
Rot. Bonds3

About 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19332769) has the molecular formula C9H5N5O3S and a molecular weight of 263.24 g/mol. Its IUPAC name is 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19332769
Molecular FormulaC9H5N5O3S
Molecular Weight263.24 g/mol
Exact Mass263.01
IUPAC Name5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESO=[N+]([O-])c1cn[nH]c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C9H5N5O3S/c15-14(16)5-4-10-12-7(5)9-11-8(13-17-9)6-2-1-3-18-6/h1-4H,(H,10,12)
InChIKeyQVLVRFJRDRMLFG-UHFFFAOYSA-N
XLogP2.10
TPSA110.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
3-methyl-4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 92801391
5-[(5-methyl-2-nitrophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 36632101
5-[(Z)-1-chloro-2-(4-chloro-3-nitrophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037548
2-nitro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785499
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-nitro-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30332060
4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 92801370
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3-nitro-2-thiophen-2-ylpyridine
CID 71249233
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19332769) is 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is O=[N+]([O-])c1cn[nH]c1-c1nc(-c2cccs2)no1.
What is the InChIKey of 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is QVLVRFJRDRMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O3S/c15-14(16)5-4-10-12-7(5)9-11-8(13-17-9)6-2-1-3-18-6/h1-4H,(H,10,12).
What are the key properties of 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 263.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19332769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).