1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole

C10H7F2IN2 — CID 78997583

IUPAC1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
SMILESFc1ccc(Cn2cc(I)cn2)cc1F
InChIInChI=1S/C10H7F2IN2/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5H2
InChIKeyHZOWKEUWSDHYRC-UHFFFAOYSA-N
MW320.08 g/mol
LogP2.81
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole

1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole (PubChem CID 78997583) has the molecular formula C10H7F2IN2 and a molecular weight of 320.08 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
PubChem CID78997583
Molecular FormulaC10H7F2IN2
Molecular Weight320.08 g/mol
Exact Mass319.96
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
SMILESFc1ccc(Cn2cc(I)cn2)cc1F
InChIInChI=1S/C10H7F2IN2/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5H2
InChIKeyHZOWKEUWSDHYRC-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 52.81
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-[(3,4-difluorophenyl)methyl]-4-iodopyrazole?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole (CID 78997583) is 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole is Fc1ccc(Cn2cc(I)cn2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole?
The InChIKey is HZOWKEUWSDHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole?
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole has a molecular weight of 320.08 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole is sourced from PubChem (CID 78997583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).