1-cyclopropyl-5-iodopyrazole

C6H7IN2 — CID 83382815

IUPAC1-cyclopropyl-5-iodopyrazole
SMILESIc1ccnn1C1CC1
InChIInChI=1S/C6H7IN2/c7-6-3-4-8-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyHLJZCTPCIZJVKV-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.82
Rot. Bonds1

About 1-cyclopropyl-5-iodopyrazole

1-cyclopropyl-5-iodopyrazole (PubChem CID 83382815) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 1-cyclopropyl-5-iodopyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-iodopyrazole
PubChem CID83382815
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name1-cyclopropyl-5-iodopyrazole
SMILESIc1ccnn1C1CC1
InChIInChI=1S/C6H7IN2/c7-6-3-4-8-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyHLJZCTPCIZJVKV-UHFFFAOYSA-N
XLogP1.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.82
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-iodopyrazole?
The IUPAC name of 1-cyclopropyl-5-iodopyrazole (CID 83382815) is 1-cyclopropyl-5-iodopyrazole.
What is the SMILES notation for 1-cyclopropyl-5-iodopyrazole?
The canonical SMILES for 1-cyclopropyl-5-iodopyrazole is Ic1ccnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-iodopyrazole?
The InChIKey is HLJZCTPCIZJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c7-6-3-4-8-9(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 1-cyclopropyl-5-iodopyrazole?
1-cyclopropyl-5-iodopyrazole has a molecular weight of 234.04 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-iodopyrazole is sourced from PubChem (CID 83382815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).