1,3-bis(difluoromethyl)-4-iodopyrazole

C5H3F4IN2 — CID 170247476

IUPAC1,3-bis(difluoromethyl)-4-iodopyrazole
SMILESFC(F)c1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H
InChIKeyTYJPLGRSJZNGFO-UHFFFAOYSA-N
MW293.99 g/mol
LogP2.82
Rot. Bonds2

About 1,3-bis(difluoromethyl)-4-iodopyrazole

1,3-bis(difluoromethyl)-4-iodopyrazole (PubChem CID 170247476) has the molecular formula C5H3F4IN2 and a molecular weight of 293.99 g/mol. Its IUPAC name is 1,3-bis(difluoromethyl)-4-iodopyrazole.

Molecular Properties

Compound Name1,3-bis(difluoromethyl)-4-iodopyrazole
PubChem CID170247476
Molecular FormulaC5H3F4IN2
Molecular Weight293.99 g/mol
Exact Mass293.93
IUPAC Name1,3-bis(difluoromethyl)-4-iodopyrazole
SMILESFC(F)c1nn(C(F)F)cc1I
InChIInChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H
InChIKeyTYJPLGRSJZNGFO-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis(difluoromethyl)-4-iodopyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
CID 171145568
3-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
CID 171842664
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
CID 170247527
1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole
CID 176693215
3-[3-(difluoromethyl)-4-iodopyrazol-1-yl]propanoic acid
CID 122171571
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474
2-(4-iodo-3-propan-2-ylpyrazol-1-yl)butanoic acid
CID 154882163
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
3-(difluoromethyl)-4-methylpyrazol-1-amine
CID 178089275
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841
3-(difluoromethyl)-4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]disulfanyl]-1-methylpyrazole
CID 139370353
1-(difluoromethyl)-3-nitropyrazol-4-amine
CID 146680409

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(difluoromethyl)-4-iodopyrazole?
The IUPAC name of 1,3-bis(difluoromethyl)-4-iodopyrazole (CID 170247476) is 1,3-bis(difluoromethyl)-4-iodopyrazole.
What is the SMILES notation for 1,3-bis(difluoromethyl)-4-iodopyrazole?
The canonical SMILES for 1,3-bis(difluoromethyl)-4-iodopyrazole is FC(F)c1nn(C(F)F)cc1I.
What is the InChIKey of 1,3-bis(difluoromethyl)-4-iodopyrazole?
The InChIKey is TYJPLGRSJZNGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4IN2/c6-4(7)3-2(10)1-12(11-3)5(8)9/h1,4-5H.
What are the key properties of 1,3-bis(difluoromethyl)-4-iodopyrazole?
1,3-bis(difluoromethyl)-4-iodopyrazole has a molecular weight of 293.99 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(difluoromethyl)-4-iodopyrazole is sourced from PubChem (CID 170247476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).