1-(5-nitrothiophen-2-yl)pyrazole

C7H5N3O2S — CID 901424

IUPAC1-(5-nitrothiophen-2-yl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)s1
InChIInChI=1S/C7H5N3O2S/c11-10(12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H
InChIKeyLYPULMJPUWIZMN-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.84
Rot. Bonds2

About 1-(5-nitrothiophen-2-yl)pyrazole

1-(5-nitrothiophen-2-yl)pyrazole (PubChem CID 901424) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 1-(5-nitrothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name1-(5-nitrothiophen-2-yl)pyrazole
PubChem CID901424
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name1-(5-nitrothiophen-2-yl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2cccn2)s1
InChIInChI=1S/C7H5N3O2S/c11-10(12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H
InChIKeyLYPULMJPUWIZMN-UHFFFAOYSA-N
XLogP1.84
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 12554486
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
1-(3-Bromothiophen-2-yl)pyrazole
CID 68656065
4-methyl-1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 68787041
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317
5-Pyrazol-1-ylthiophene-2-thiol
CID 70532458
4-Iodo-1-(5-iodothiophen-2-yl)pyrazole
CID 70864816
5-Pyrazol-1-ylthiophene-2-sulfonic acid
CID 87634089
5-Methyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778221

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrothiophen-2-yl)pyrazole?
The IUPAC name of 1-(5-nitrothiophen-2-yl)pyrazole (CID 901424) is 1-(5-nitrothiophen-2-yl)pyrazole.
What is the SMILES notation for 1-(5-nitrothiophen-2-yl)pyrazole?
The canonical SMILES for 1-(5-nitrothiophen-2-yl)pyrazole is O=[N+]([O-])c1ccc(-n2cccn2)s1.
What is the InChIKey of 1-(5-nitrothiophen-2-yl)pyrazole?
The InChIKey is LYPULMJPUWIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c11-10(12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H.
What are the key properties of 1-(5-nitrothiophen-2-yl)pyrazole?
1-(5-nitrothiophen-2-yl)pyrazole has a molecular weight of 195.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrothiophen-2-yl)pyrazole is sourced from PubChem (CID 901424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).