5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine

C21H18BrN3 — CID 101073019

IUPAC5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C21H18BrN3/c1-15-7-8-17(14-23-15)20-13-21(16-9-11-18(22)12-10-16)25(24-20)19-5-3-2-4-6-19/h2-12,14,21H,13H2,1H3
InChIKeyRBUTYSZWIZPURA-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.51
Rot. Bonds3

About 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine

5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine (PubChem CID 101073019) has the molecular formula C21H18BrN3 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
PubChem CID101073019
Molecular FormulaC21H18BrN3
Molecular Weight392.30 g/mol
Exact Mass391.07
IUPAC Name5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C21H18BrN3/c1-15-7-8-17(14-23-15)20-13-21(16-9-11-18(22)12-10-16)25(24-20)19-5-3-2-4-6-19/h2-12,14,21H,13H2,1H3
InChIKeyRBUTYSZWIZPURA-UHFFFAOYSA-N
XLogP5.51
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
3-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 3434506
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine?
The IUPAC name of 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine (CID 101073019) is 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine.
What is the SMILES notation for 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine?
The canonical SMILES for 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine is Cc1ccc(C2=NN(c3ccccc3)C(c3ccc(Br)cc3)C2)cn1.
What is the InChIKey of 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine?
The InChIKey is RBUTYSZWIZPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3/c1-15-7-8-17(14-23-15)20-13-21(16-9-11-18(22)12-10-16)25(24-20)19-5-3-2-4-6-19/h2-12,14,21H,13H2,1H3.
What are the key properties of 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine?
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine has a molecular weight of 392.30 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine is sourced from PubChem (CID 101073019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).