3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole

C21H12Br2Cl2N2 — CID 17025660

IUPAC3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
SMILESClc1cccc(-n2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C21H12Br2Cl2N2/c22-15-8-4-13(5-9-15)20-19(25)21(14-6-10-16(23)11-7-14)27(26-20)18-3-1-2-17(24)12-18/h1-12H
InChIKeyANYYHZJXSWGZLT-UHFFFAOYSA-N
MW523.06 g/mol
LogP8.04
Rot. Bonds3

About 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole

3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole (PubChem CID 17025660) has the molecular formula C21H12Br2Cl2N2 and a molecular weight of 523.06 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
PubChem CID17025660
Molecular FormulaC21H12Br2Cl2N2
Molecular Weight523.06 g/mol
Exact Mass519.87
IUPAC Name3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole
SMILESClc1cccc(-n2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C21H12Br2Cl2N2/c22-15-8-4-13(5-9-15)20-19(25)21(14-6-10-16(23)11-7-14)27(26-20)18-3-1-2-17(24)12-18/h1-12H
InChIKeyANYYHZJXSWGZLT-UHFFFAOYSA-N
XLogP8.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.06
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole (CID 17025660) is 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole is Clc1cccc(-n2nc(-c3ccc(Br)cc3)c(Cl)c2-c2ccc(Br)cc2)c1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole?
The InChIKey is ANYYHZJXSWGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Br2Cl2N2/c22-15-8-4-13(5-9-15)20-19(25)21(14-6-10-16(23)11-7-14)27(26-20)18-3-1-2-17(24)12-18/h1-12H.
What are the key properties of 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole?
3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole has a molecular weight of 523.06 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-bromophenyl)-4-chloro-1-(3-chlorophenyl)pyrazole is sourced from PubChem (CID 17025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).