5-iodo-1-phenylmethoxypyrazole

C10H9IN2O — CID 10063351

IUPAC5-iodo-1-phenylmethoxypyrazole
SMILESIc1ccnn1OCc1ccccc1
InChIInChI=1S/C10H9IN2O/c11-10-6-7-12-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNHNOPVOTYWPBLG-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.12
Rot. Bonds3

About 5-iodo-1-phenylmethoxypyrazole

5-iodo-1-phenylmethoxypyrazole (PubChem CID 10063351) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-iodo-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name5-iodo-1-phenylmethoxypyrazole
PubChem CID10063351
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name5-iodo-1-phenylmethoxypyrazole
SMILESIc1ccnn1OCc1ccccc1
InChIInChI=1S/C10H9IN2O/c11-10-6-7-12-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNHNOPVOTYWPBLG-UHFFFAOYSA-N
XLogP2.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.12
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 5-iodo-1-phenylmethoxypyrazole?
The IUPAC name of 5-iodo-1-phenylmethoxypyrazole (CID 10063351) is 5-iodo-1-phenylmethoxypyrazole.
What is the SMILES notation for 5-iodo-1-phenylmethoxypyrazole?
The canonical SMILES for 5-iodo-1-phenylmethoxypyrazole is Ic1ccnn1OCc1ccccc1.
What is the InChIKey of 5-iodo-1-phenylmethoxypyrazole?
The InChIKey is NHNOPVOTYWPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-10-6-7-12-13(10)14-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-iodo-1-phenylmethoxypyrazole?
5-iodo-1-phenylmethoxypyrazole has a molecular weight of 300.10 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-phenylmethoxypyrazole is sourced from PubChem (CID 10063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).