3-iodo-1-phenylpyrazole

C9H7IN2 — CID 14972074

IUPAC3-iodo-1-phenylpyrazole
SMILESIc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
InChIKeyRJCCRXXUBFGPBW-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.48
Rot. Bonds1

About 3-iodo-1-phenylpyrazole

3-iodo-1-phenylpyrazole (PubChem CID 14972074) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 3-iodo-1-phenylpyrazole.

Molecular Properties

Compound Name3-iodo-1-phenylpyrazole
PubChem CID14972074
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name3-iodo-1-phenylpyrazole
SMILESIc1ccn(-c2ccccc2)n1
InChIInChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
InChIKeyRJCCRXXUBFGPBW-UHFFFAOYSA-N
XLogP2.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.48
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 3-iodo-1-phenylpyrazole?
The IUPAC name of 3-iodo-1-phenylpyrazole (CID 14972074) is 3-iodo-1-phenylpyrazole.
What is the SMILES notation for 3-iodo-1-phenylpyrazole?
The canonical SMILES for 3-iodo-1-phenylpyrazole is Ic1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-iodo-1-phenylpyrazole?
The InChIKey is RJCCRXXUBFGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-iodo-1-phenylpyrazole?
3-iodo-1-phenylpyrazole has a molecular weight of 270.07 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-phenylpyrazole is sourced from PubChem (CID 14972074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).