2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole

C12H8N4O2S — CID 56956111

IUPAC2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1-c1nccs1
InChIInChI=1S/C12H8N4O2S/c17-16(18)10-4-2-1-3-9(10)15-11(5-6-14-15)12-13-7-8-19-12/h1-8H
InChIKeyNGCUYSCPQVYGPX-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole

2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 56956111) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID56956111
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESO=[N+]([O-])c1ccccc1-n1nccc1-c1nccs1
InChIInChI=1S/C12H8N4O2S/c17-16(18)10-4-2-1-3-9(10)15-11(5-6-14-15)12-13-7-8-19-12/h1-8H
InChIKeyNGCUYSCPQVYGPX-UHFFFAOYSA-N
XLogP2.90
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole (CID 56956111) is 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole is O=[N+]([O-])c1ccccc1-n1nccc1-c1nccs1.
What is the InChIKey of 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is NGCUYSCPQVYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-16(18)10-4-2-1-3-9(10)15-11(5-6-14-15)12-13-7-8-19-12/h1-8H.
What are the key properties of 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole?
2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 272.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 56956111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).