1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole

C10H7F2IN2 — CID 82935303

IUPAC1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole
SMILESFc1ccc(Cn2ccc(I)n2)cc1F
InChIInChI=1S/C10H7F2IN2/c11-8-2-1-7(5-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2
InChIKeyDJOYQSXKWVOZSB-UHFFFAOYSA-N
MW320.08 g/mol
LogP2.81
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole

1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole (PubChem CID 82935303) has the molecular formula C10H7F2IN2 and a molecular weight of 320.08 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole
PubChem CID82935303
Molecular FormulaC10H7F2IN2
Molecular Weight320.08 g/mol
Exact Mass319.96
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole
SMILESFc1ccc(Cn2ccc(I)n2)cc1F
InChIInChI=1S/C10H7F2IN2/c11-8-2-1-7(5-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2
InChIKeyDJOYQSXKWVOZSB-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 52.81
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-chloro-4-fluorophenyl)methyl]-3-iodopyrazole
CID 103042247
1-[(3,4-difluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 82935002
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82924780
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 82929588
1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82934614
1-[(3-chloro-4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 103038432
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
4-chloro-1-[(3,4-difluorophenyl)methyl]-3-nitropyrazole
CID 82930503
4-(2-bromoethyl)-1-[(3,4-difluorophenyl)methyl]triazole
CID 82930440

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole (CID 82935303) is 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole is Fc1ccc(Cn2ccc(I)n2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole?
The InChIKey is DJOYQSXKWVOZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2IN2/c11-8-2-1-7(5-9(8)12)6-15-4-3-10(13)14-15/h1-5H,6H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole?
1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole has a molecular weight of 320.08 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-iodopyrazole is sourced from PubChem (CID 82935303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).