1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole

C17H12Cl4N2 — CID 50884234

IUPAC1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N2/c1-9-17(11-3-5-13(18)15(20)7-11)10(2)23(22-9)12-4-6-14(19)16(21)8-12/h3-8H,1-2H3
InChIKeyOHRHPJUTDAINBQ-UHFFFAOYSA-N
MW386.11 g/mol
LogP6.77
Rot. Bonds2

About 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole

1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole (PubChem CID 50884234) has the molecular formula C17H12Cl4N2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole
PubChem CID50884234
Molecular FormulaC17H12Cl4N2
Molecular Weight386.11 g/mol
Exact Mass383.98
IUPAC Name1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N2/c1-9-17(11-3-5-13(18)15(20)7-11)10(2)23(22-9)12-4-6-14(19)16(21)8-12/h3-8H,1-2H3
InChIKeyOHRHPJUTDAINBQ-UHFFFAOYSA-N
XLogP6.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.11
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole (CID 50884234) is 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
The InChIKey is OHRHPJUTDAINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2/c1-9-17(11-3-5-13(18)15(20)7-11)10(2)23(22-9)12-4-6-14(19)16(21)8-12/h3-8H,1-2H3.
What are the key properties of 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole?
1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole has a molecular weight of 386.11 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 50884234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).