3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole

C21H17BrN2 — CID 3089890

IUPAC3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyMOVSWXFSYWOBDU-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.80
Rot. Bonds3

About 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole

3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 3089890) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID3089890
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyMOVSWXFSYWOBDU-UHFFFAOYSA-N
XLogP5.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
3-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 3434506
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
CID 101073019
(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7453348
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
4-[4-[(3R)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium
CID 98328852

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 3089890) is 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole is Brc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is MOVSWXFSYWOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-14,21H,15H2.
What are the key properties of 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 377.29 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3089890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).