5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole

C21H17BrN2 — CID 23583457

IUPAC5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESBrc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-12-10-18(11-13-19)21-14-20(23-24-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,21,24H,14H2
InChIKeyZKUSHFILSSRHQC-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.55
Rot. Bonds3

About 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole

5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 23583457) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID23583457
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
SMILESBrc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1
InChIInChI=1S/C21H17BrN2/c22-19-12-10-18(11-13-19)21-14-20(23-24-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,21,24H,14H2
InChIKeyZKUSHFILSSRHQC-UHFFFAOYSA-N
XLogP5.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
5-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)phenyl]-2H-tetrazole
CID 139267128
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
CID 6934859
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
CID 3415879
N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
CID 95861300
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860
methyl 4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
CID 170722121
3-(1,3-benzodioxol-5-yl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 53298015
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 4738375

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole (CID 23583457) is 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is Brc1ccc(C2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is ZKUSHFILSSRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-19-12-10-18(11-13-19)21-14-20(23-24-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,21,24H,14H2.
What are the key properties of 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole?
5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 377.29 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 23583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).