5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole

C8H6BrF2IN4 — CID 166560262

IUPAC5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole
SMILESFC(F)n1nc(Cn2nccc2I)cc1Br
InChIInChI=1S/C8H6BrF2IN4/c9-6-3-5(14-16(6)8(10)11)4-15-7(12)1-2-13-15/h1-3,8H,4H2
InChIKeyRYDXATGDBSKLMQ-UHFFFAOYSA-N
MW402.97 g/mol
LogP2.89
Rot. Bonds3

About 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole

5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole (PubChem CID 166560262) has the molecular formula C8H6BrF2IN4 and a molecular weight of 402.97 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole
PubChem CID166560262
Molecular FormulaC8H6BrF2IN4
Molecular Weight402.97 g/mol
Exact Mass401.88
IUPAC Name5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole
SMILESFC(F)n1nc(Cn2nccc2I)cc1Br
InChIInChI=1S/C8H6BrF2IN4/c9-6-3-5(14-16(6)8(10)11)4-15-7(12)1-2-13-15/h1-3,8H,4H2
InChIKeyRYDXATGDBSKLMQ-UHFFFAOYSA-N
XLogP2.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(cyclopropylmethyl)-4-[(5-iodopyrazol-1-yl)methyl]-3-methylpyrazole
CID 166560053
5-bromo-3-ethyl-1-propan-2-ylpyrazole
CID 130115872
5-bromo-1-(3,3-difluoropropyl)pyrazole
CID 84689526
1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
CID 83895033
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
CID 176568753
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 51853642
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine
CID 122167225
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 3461510
2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one
CID 67738554
5-iodo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridazin-3-one
CID 114553671
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140
4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine
CID 121210897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole (CID 166560262) is 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole is FC(F)n1nc(Cn2nccc2I)cc1Br.
What is the InChIKey of 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole?
The InChIKey is RYDXATGDBSKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2IN4/c9-6-3-5(14-16(6)8(10)11)4-15-7(12)1-2-13-15/h1-3,8H,4H2.
What are the key properties of 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole?
5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole has a molecular weight of 402.97 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(difluoromethyl)-3-[(5-iodopyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 166560262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).