1-(2-iodothiophen-3-yl)pyrazole

C7H5IN2S — CID 53310193

IUPAC1-(2-iodothiophen-3-yl)pyrazole
SMILESIc1sccc1-n1cccn1
InChIInChI=1S/C7H5IN2S/c8-7-6(2-5-11-7)10-4-1-3-9-10/h1-5H
InChIKeyMTDSOHVHSVGPFT-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.54
Rot. Bonds1

About 1-(2-iodothiophen-3-yl)pyrazole

1-(2-iodothiophen-3-yl)pyrazole (PubChem CID 53310193) has the molecular formula C7H5IN2S and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-(2-iodothiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2-iodothiophen-3-yl)pyrazole
PubChem CID53310193
Molecular FormulaC7H5IN2S
Molecular Weight276.10 g/mol
Exact Mass275.92
IUPAC Name1-(2-iodothiophen-3-yl)pyrazole
SMILESIc1sccc1-n1cccn1
InChIInChI=1S/C7H5IN2S/c8-7-6(2-5-11-7)10-4-1-3-9-10/h1-5H
InChIKeyMTDSOHVHSVGPFT-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodothiophen-3-yl)pyrazole?
The IUPAC name of 1-(2-iodothiophen-3-yl)pyrazole (CID 53310193) is 1-(2-iodothiophen-3-yl)pyrazole.
What is the SMILES notation for 1-(2-iodothiophen-3-yl)pyrazole?
The canonical SMILES for 1-(2-iodothiophen-3-yl)pyrazole is Ic1sccc1-n1cccn1.
What is the InChIKey of 1-(2-iodothiophen-3-yl)pyrazole?
The InChIKey is MTDSOHVHSVGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2S/c8-7-6(2-5-11-7)10-4-1-3-9-10/h1-5H.
What are the key properties of 1-(2-iodothiophen-3-yl)pyrazole?
1-(2-iodothiophen-3-yl)pyrazole has a molecular weight of 276.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodothiophen-3-yl)pyrazole is sourced from PubChem (CID 53310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).