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

C7H4ClIN2S — CID 163539682

IUPAC4-chloro-1-(5-iodothiophen-2-yl)pyrazole
SMILESClc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C7H4ClIN2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H
InChIKeyFABALJRJPYDTHA-UHFFFAOYSA-N
MW310.55 g/mol
LogP3.19
Rot. Bonds1

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

4-chloro-1-(5-iodothiophen-2-yl)pyrazole (PubChem CID 163539682) has the molecular formula C7H4ClIN2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-chloro-1-(5-iodothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-(5-iodothiophen-2-yl)pyrazole
PubChem CID163539682
Molecular FormulaC7H4ClIN2S
Molecular Weight310.55 g/mol
Exact Mass309.88
IUPAC Name4-chloro-1-(5-iodothiophen-2-yl)pyrazole
SMILESClc1cnn(-c2ccc(I)s2)c1
InChIInChI=1S/C7H4ClIN2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H
InChIKeyFABALJRJPYDTHA-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 53.19
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 4-chloro-1-(5-iodothiophen-2-yl)pyrazole?
The IUPAC name of 4-chloro-1-(5-iodothiophen-2-yl)pyrazole (CID 163539682) is 4-chloro-1-(5-iodothiophen-2-yl)pyrazole.
What is the SMILES notation for 4-chloro-1-(5-iodothiophen-2-yl)pyrazole?
The canonical SMILES for 4-chloro-1-(5-iodothiophen-2-yl)pyrazole is Clc1cnn(-c2ccc(I)s2)c1.
What is the InChIKey of 4-chloro-1-(5-iodothiophen-2-yl)pyrazole?
The InChIKey is FABALJRJPYDTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2S/c8-5-3-10-11(4-5)7-2-1-6(9)12-7/h1-4H.
What are the key properties of 4-chloro-1-(5-iodothiophen-2-yl)pyrazole?
4-chloro-1-(5-iodothiophen-2-yl)pyrazole has a molecular weight of 310.55 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-iodothiophen-2-yl)pyrazole is sourced from PubChem (CID 163539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).