5-(difluoromethyl)-4-iodo-1-methylpyrazole

C5H5F2IN2 — CID 122170327

IUPAC5-(difluoromethyl)-4-iodo-1-methylpyrazole
SMILESCn1ncc(I)c1C(F)F
InChIInChI=1S/C5H5F2IN2/c1-10-4(5(6)7)3(8)2-9-10/h2,5H,1H3
InChIKeyBRUXHQUNXPUFRQ-UHFFFAOYSA-N
MW258.01 g/mol
LogP1.96
Rot. Bonds1

About 5-(difluoromethyl)-4-iodo-1-methylpyrazole

5-(difluoromethyl)-4-iodo-1-methylpyrazole (PubChem CID 122170327) has the molecular formula C5H5F2IN2 and a molecular weight of 258.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-1-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-1-methylpyrazole
PubChem CID122170327
Molecular FormulaC5H5F2IN2
Molecular Weight258.01 g/mol
Exact Mass257.95
IUPAC Name5-(difluoromethyl)-4-iodo-1-methylpyrazole
SMILESCn1ncc(I)c1C(F)F
InChIInChI=1S/C5H5F2IN2/c1-10-4(5(6)7)3(8)2-9-10/h2,5H,1H3
InChIKeyBRUXHQUNXPUFRQ-UHFFFAOYSA-N
XLogP1.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 51.96
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 5-(difluoromethyl)-4-iodo-1-methylpyrazole?
The IUPAC name of 5-(difluoromethyl)-4-iodo-1-methylpyrazole (CID 122170327) is 5-(difluoromethyl)-4-iodo-1-methylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-1-methylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-1-methylpyrazole is Cn1ncc(I)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-1-methylpyrazole?
The InChIKey is BRUXHQUNXPUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2IN2/c1-10-4(5(6)7)3(8)2-9-10/h2,5H,1H3.
What are the key properties of 5-(difluoromethyl)-4-iodo-1-methylpyrazole?
5-(difluoromethyl)-4-iodo-1-methylpyrazole has a molecular weight of 258.01 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-1-methylpyrazole is sourced from PubChem (CID 122170327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).