1-(fluoromethyl)-4-iodopyrazole

C4H4FIN2 — CID 170247528

IUPAC1-(fluoromethyl)-4-iodopyrazole
SMILESFCn1cc(I)cn1
InChIInChI=1S/C4H4FIN2/c5-3-8-2-4(6)1-7-8/h1-2H,3H2
InChIKeyZTICWQDKHZYAKO-UHFFFAOYSA-N
MW225.99 g/mol
LogP1.41
Rot. Bonds1

About 1-(fluoromethyl)-4-iodopyrazole

1-(fluoromethyl)-4-iodopyrazole (PubChem CID 170247528) has the molecular formula C4H4FIN2 and a molecular weight of 225.99 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-iodopyrazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4-iodopyrazole
PubChem CID170247528
Molecular FormulaC4H4FIN2
Molecular Weight225.99 g/mol
Exact Mass225.94
IUPAC Name1-(fluoromethyl)-4-iodopyrazole
SMILESFCn1cc(I)cn1
InChIInChI=1S/C4H4FIN2/c5-3-8-2-4(6)1-7-8/h1-2H,3H2
InChIKeyZTICWQDKHZYAKO-UHFFFAOYSA-N
XLogP1.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.99
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoropropyl)-4-iodopyrazole
CID 79020404
1-(4-iodopyrazol-1-yl)-3-methylbutan-2-one
CID 78997502
1-but-2-enyl-4-iodopyrazole
CID 77039441
1-(4-iodopyrazol-1-yl)-2-methylpropan-2-amine
CID 90003245
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
4-iodo-1-pent-3-ynylpyrazole
CID 104743944
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
1-(2-ethylsulfanylethyl)-4-iodopyrazole
CID 115646959
ethyl 5-(4-iodopyrazol-1-yl)-4-oxopentanoate
CID 103484780
1-(4,4-dimethylpent-2-ynyl)-4-iodopyrazole
CID 130478803
1-[3-(4-iodopyrazol-1-yl)propyl]piperidine
CID 156792777

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-iodopyrazole?
The IUPAC name of 1-(fluoromethyl)-4-iodopyrazole (CID 170247528) is 1-(fluoromethyl)-4-iodopyrazole.
What is the SMILES notation for 1-(fluoromethyl)-4-iodopyrazole?
The canonical SMILES for 1-(fluoromethyl)-4-iodopyrazole is FCn1cc(I)cn1.
What is the InChIKey of 1-(fluoromethyl)-4-iodopyrazole?
The InChIKey is ZTICWQDKHZYAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FIN2/c5-3-8-2-4(6)1-7-8/h1-2H,3H2.
What are the key properties of 1-(fluoromethyl)-4-iodopyrazole?
1-(fluoromethyl)-4-iodopyrazole has a molecular weight of 225.99 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-iodopyrazole is sourced from PubChem (CID 170247528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).