4-iodo-1-(5-iodothiophen-2-yl)pyrazole

C7H4I2N2S — CID 70864816

IUPAC4-iodo-1-(5-iodothiophen-2-yl)pyrazole
SMILESIc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C7H4I2N2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H
InChIKeyMHZWRPTVRGUMDZ-UHFFFAOYSA-N
MW402.00 g/mol
LogP3.14
Rot. Bonds1

About 4-iodo-1-(5-iodothiophen-2-yl)pyrazole

4-iodo-1-(5-iodothiophen-2-yl)pyrazole (PubChem CID 70864816) has the molecular formula C7H4I2N2S and a molecular weight of 402.00 g/mol. Its IUPAC name is 4-iodo-1-(5-iodothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name4-iodo-1-(5-iodothiophen-2-yl)pyrazole
PubChem CID70864816
Molecular FormulaC7H4I2N2S
Molecular Weight402.00 g/mol
Exact Mass401.82
IUPAC Name4-iodo-1-(5-iodothiophen-2-yl)pyrazole
SMILESIc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C7H4I2N2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H
InChIKeyMHZWRPTVRGUMDZ-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.00
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
2-Bromo-5-(2-pyrazolyl)thiophene
CID 12554491
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
1-(5-iodo-2-thienyl)-5-methyl-1H-pyrazole
CID 67207339
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The IUPAC name of 4-iodo-1-(5-iodothiophen-2-yl)pyrazole (CID 70864816) is 4-iodo-1-(5-iodothiophen-2-yl)pyrazole.
What is the SMILES notation for 4-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The canonical SMILES for 4-iodo-1-(5-iodothiophen-2-yl)pyrazole is Ic1cnn(-c2ccc(I)s2)c1.
What is the InChIKey of 4-iodo-1-(5-iodothiophen-2-yl)pyrazole?
The InChIKey is MHZWRPTVRGUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2N2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H.
What are the key properties of 4-iodo-1-(5-iodothiophen-2-yl)pyrazole?
4-iodo-1-(5-iodothiophen-2-yl)pyrazole has a molecular weight of 402.00 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(5-iodothiophen-2-yl)pyrazole is sourced from PubChem (CID 70864816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).