4-iodo-1-phenylmethoxypyrazole

C10H9IN2O — CID 10732942

IUPAC4-iodo-1-phenylmethoxypyrazole
SMILESIc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H9IN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVLRXSAMTKJXSPK-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.12
Rot. Bonds3

About 4-iodo-1-phenylmethoxypyrazole

4-iodo-1-phenylmethoxypyrazole (PubChem CID 10732942) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-iodo-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name4-iodo-1-phenylmethoxypyrazole
PubChem CID10732942
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name4-iodo-1-phenylmethoxypyrazole
SMILESIc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H9IN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVLRXSAMTKJXSPK-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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Related Compounds

1H-Pyrazole, 1-(phenylmethoxy)-
CID 10058015
1-(3-Phenylprop-2-enoxy)pyrazole
CID 126807494
5-(2-Fluorophenyl)-4-iodo-1-phenylmethoxypyrazole
CID 11303970
1-[[4-(Trifluoromethyl)phenyl]methoxy]pyrazole
CID 174916921
1-[[2-(Trifluoromethyl)phenyl]methoxy]pyrazole
CID 175321344
1-[[3-(Trifluoromethyl)phenyl]methoxy]pyrazole
CID 175321437
5-Iodo-1-phenylmethoxypyrazole
CID 10063351
1-(1-Phenylmethoxypyrazol-4-yl)ethanone
CID 11127668
N-benzyloxy-4-methylpyrazole
CID 85807099
1-benzyloxy-5-tributylstannanyl-1H-pyrazole
CID 10479501
1-Benzyloxymethyl-5-iodo-4-methyl-1H-pyrazole
CID 70663467
1-(2-Phenylethoxy)pyrazole
CID 90946856

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-phenylmethoxypyrazole?
The IUPAC name of 4-iodo-1-phenylmethoxypyrazole (CID 10732942) is 4-iodo-1-phenylmethoxypyrazole.
What is the SMILES notation for 4-iodo-1-phenylmethoxypyrazole?
The canonical SMILES for 4-iodo-1-phenylmethoxypyrazole is Ic1cnn(OCc2ccccc2)c1.
What is the InChIKey of 4-iodo-1-phenylmethoxypyrazole?
The InChIKey is VLRXSAMTKJXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 4-iodo-1-phenylmethoxypyrazole?
4-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 4-iodo-1-phenylmethoxypyrazole is sourced from PubChem (CID 10732942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).