1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole

C14H15F2IN2 — CID 82934614

IUPAC1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1I
InChIInChI=1S/C14H15F2IN2/c1-3-12-14(17)13(4-2)19(18-12)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyXVSYEYMGCHLOCK-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.94
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole

1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole (PubChem CID 82934614) has the molecular formula C14H15F2IN2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
PubChem CID82934614
Molecular FormulaC14H15F2IN2
Molecular Weight376.19 g/mol
Exact Mass376.02
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1I
InChIInChI=1S/C14H15F2IN2/c1-3-12-14(17)13(4-2)19(18-12)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyXVSYEYMGCHLOCK-UHFFFAOYSA-N
XLogP3.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.94
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

2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926189
3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702883
1-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926065
1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
4-(1-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 107887246
4-(1-chloroethyl)-1-[(3-chloro-4-fluorophenyl)methyl]-3,5-diethylpyrazole
CID 103041277
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
CID 82702321
[1-[(3,4-difluorophenyl)methyl]indazol-3-yl]methanamine
CID 82925613
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
1-[(3,4-difluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 82935002

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole (CID 82934614) is 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole is CCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1I.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The InChIKey is XVSYEYMGCHLOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2IN2/c1-3-12-14(17)13(4-2)19(18-12)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole has a molecular weight of 376.19 g/mol, XLogP of 3.94, 4 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]-3,5-diethyl-4-iodopyrazole is sourced from PubChem (CID 82934614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).