1-cyclopropyl-5-fluoro-4-iodopyrazole

C6H6FIN2 — CID 167721010

IUPAC1-cyclopropyl-5-fluoro-4-iodopyrazole
SMILESFc1c(I)cnn1C1CC1
InChIInChI=1S/C6H6FIN2/c7-6-5(8)3-9-10(6)4-1-2-4/h3-4H,1-2H2
InChIKeyAQPJVDNAIJZLTP-UHFFFAOYSA-N
MW252.03 g/mol
LogP1.96
Rot. Bonds1

About 1-cyclopropyl-5-fluoro-4-iodopyrazole

1-cyclopropyl-5-fluoro-4-iodopyrazole (PubChem CID 167721010) has the molecular formula C6H6FIN2 and a molecular weight of 252.03 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoro-4-iodopyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoro-4-iodopyrazole
PubChem CID167721010
Molecular FormulaC6H6FIN2
Molecular Weight252.03 g/mol
Exact Mass251.96
IUPAC Name1-cyclopropyl-5-fluoro-4-iodopyrazole
SMILESFc1c(I)cnn1C1CC1
InChIInChI=1S/C6H6FIN2/c7-6-5(8)3-9-10(6)4-1-2-4/h3-4H,1-2H2
InChIKeyAQPJVDNAIJZLTP-UHFFFAOYSA-N
XLogP1.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopropyl-5-fluoro-4-iodopyrazole?
The IUPAC name of 1-cyclopropyl-5-fluoro-4-iodopyrazole (CID 167721010) is 1-cyclopropyl-5-fluoro-4-iodopyrazole.
What is the SMILES notation for 1-cyclopropyl-5-fluoro-4-iodopyrazole?
The canonical SMILES for 1-cyclopropyl-5-fluoro-4-iodopyrazole is Fc1c(I)cnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-fluoro-4-iodopyrazole?
The InChIKey is AQPJVDNAIJZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2/c7-6-5(8)3-9-10(6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 1-cyclopropyl-5-fluoro-4-iodopyrazole?
1-cyclopropyl-5-fluoro-4-iodopyrazole has a molecular weight of 252.03 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-fluoro-4-iodopyrazole is sourced from PubChem (CID 167721010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).