1-(difluoromethyl)-4-iodo-3-methylpyrazole

C5H5F2IN2 — CID 46318307

IUPAC1-(difluoromethyl)-4-iodo-3-methylpyrazole
SMILESCc1nn(C(F)F)cc1I
InChIInChI=1S/C5H5F2IN2/c1-3-4(8)2-10(9-3)5(6)7/h2,5H,1H3
InChIKeyQHPZQRNOUVTKIE-UHFFFAOYSA-N
MW258.01 g/mol
LogP2.19
Rot. Bonds1

About 1-(difluoromethyl)-4-iodo-3-methylpyrazole

1-(difluoromethyl)-4-iodo-3-methylpyrazole (PubChem CID 46318307) has the molecular formula C5H5F2IN2 and a molecular weight of 258.01 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-iodo-3-methylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-iodo-3-methylpyrazole
PubChem CID46318307
Molecular FormulaC5H5F2IN2
Molecular Weight258.01 g/mol
Exact Mass257.95
IUPAC Name1-(difluoromethyl)-4-iodo-3-methylpyrazole
SMILESCc1nn(C(F)F)cc1I
InChIInChI=1S/C5H5F2IN2/c1-3-4(8)2-10(9-3)5(6)7/h2,5H,1H3
InChIKeyQHPZQRNOUVTKIE-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-(difluoromethyl)-4-iodo-3-methylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-iodo-3-methylpyrazole (CID 46318307) is 1-(difluoromethyl)-4-iodo-3-methylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-iodo-3-methylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-iodo-3-methylpyrazole is Cc1nn(C(F)F)cc1I.
What is the InChIKey of 1-(difluoromethyl)-4-iodo-3-methylpyrazole?
The InChIKey is QHPZQRNOUVTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2IN2/c1-3-4(8)2-10(9-3)5(6)7/h2,5H,1H3.
What are the key properties of 1-(difluoromethyl)-4-iodo-3-methylpyrazole?
1-(difluoromethyl)-4-iodo-3-methylpyrazole has a molecular weight of 258.01 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-iodo-3-methylpyrazole is sourced from PubChem (CID 46318307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).