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

C14H15Cl2IN2 — CID 82702883

IUPAC1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1I
InChIInChI=1S/C14H15Cl2IN2/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
InChIKeyUQLXNBVREWBWEB-UHFFFAOYSA-N
MW409.10 g/mol
LogP4.97
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole (PubChem CID 82702883) has the molecular formula C14H15Cl2IN2 and a molecular weight of 409.10 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
PubChem CID82702883
Molecular FormulaC14H15Cl2IN2
Molecular Weight409.10 g/mol
Exact Mass407.97
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
SMILESCCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1I
InChIInChI=1S/C14H15Cl2IN2/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
InChIKeyUQLXNBVREWBWEB-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 54.97
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

3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
1-[(4-bromophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702243
1-[(3,4-difluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82934614
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702486
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
3,5-diethyl-4-iodo-1-[(2-methylphenyl)methyl]pyrazole
CID 82703041
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
3,5-diethyl-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-iodopyrazole
CID 82703265
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
CID 82702321

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole (CID 82702883) is 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole is CCc1nn(Cc2ccc(Cl)c(Cl)c2)c(CC)c1I.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
The InChIKey is UQLXNBVREWBWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2IN2/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-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole?
1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole has a molecular weight of 409.10 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3,5-diethyl-4-iodopyrazole is sourced from PubChem (CID 82702883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).