3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole

C21H15Br2ClN2 — CID 3703688

IUPAC3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1cccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)c1
InChIInChI=1S/C21H15Br2ClN2/c22-16-8-4-14(5-9-16)20-13-21(15-6-10-17(23)11-7-15)26(25-20)19-3-1-2-18(24)12-19/h1-12,21H,13H2
InChIKeyCEUXLCWSVPTFKV-UHFFFAOYSA-N
MW490.63 g/mol
LogP7.22
Rot. Bonds3

About 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole

3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole (PubChem CID 3703688) has the molecular formula C21H15Br2ClN2 and a molecular weight of 490.63 g/mol. Its IUPAC name is 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
PubChem CID3703688
Molecular FormulaC21H15Br2ClN2
Molecular Weight490.63 g/mol
Exact Mass487.93
IUPAC Name3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
SMILESClc1cccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)c1
InChIInChI=1S/C21H15Br2ClN2/c22-16-8-4-14(5-9-16)20-13-21(15-6-10-17(23)11-7-15)26(25-20)19-3-1-2-18(24)12-19/h1-12,21H,13H2
InChIKeyCEUXLCWSVPTFKV-UHFFFAOYSA-N
XLogP7.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.22
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)-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole (CID 3703688) is 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole is Clc1cccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)c1.
What is the InChIKey of 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole?
The InChIKey is CEUXLCWSVPTFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2ClN2/c22-16-8-4-14(5-9-16)20-13-21(15-6-10-17(23)11-7-15)26(25-20)19-3-1-2-18(24)12-19/h1-12,21H,13H2.
What are the key properties of 3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole?
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole has a molecular weight of 490.63 g/mol, XLogP of 7.22, 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)-2-(3-chlorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3703688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).