1-(5-iodothiophen-2-yl)-4-methylpyrazole

C8H7IN2S — CID 70864848

IUPAC1-(5-iodothiophen-2-yl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C8H7IN2S/c1-6-4-10-11(5-6)8-3-2-7(9)12-8/h2-5H,1H3
InChIKeyNDFBCZVOIYDBLN-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.85
Rot. Bonds1

About 1-(5-iodothiophen-2-yl)-4-methylpyrazole

1-(5-iodothiophen-2-yl)-4-methylpyrazole (PubChem CID 70864848) has the molecular formula C8H7IN2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 1-(5-iodothiophen-2-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(5-iodothiophen-2-yl)-4-methylpyrazole
PubChem CID70864848
Molecular FormulaC8H7IN2S
Molecular Weight290.13 g/mol
Exact Mass289.94
IUPAC Name1-(5-iodothiophen-2-yl)-4-methylpyrazole
SMILESCc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C8H7IN2S/c1-6-4-10-11(5-6)8-3-2-7(9)12-8/h2-5H,1H3
InChIKeyNDFBCZVOIYDBLN-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.85
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-(5-iodothiophen-2-yl)-4-methylpyrazole?
The IUPAC name of 1-(5-iodothiophen-2-yl)-4-methylpyrazole (CID 70864848) is 1-(5-iodothiophen-2-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(5-iodothiophen-2-yl)-4-methylpyrazole?
The canonical SMILES for 1-(5-iodothiophen-2-yl)-4-methylpyrazole is Cc1cnn(-c2ccc(I)s2)c1.
What is the InChIKey of 1-(5-iodothiophen-2-yl)-4-methylpyrazole?
The InChIKey is NDFBCZVOIYDBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2S/c1-6-4-10-11(5-6)8-3-2-7(9)12-8/h2-5H,1H3.
What are the key properties of 1-(5-iodothiophen-2-yl)-4-methylpyrazole?
1-(5-iodothiophen-2-yl)-4-methylpyrazole has a molecular weight of 290.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-2-yl)-4-methylpyrazole is sourced from PubChem (CID 70864848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).