4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine

C31H22Br2N4 — CID 24807566

IUPAC4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
SMILESBrc1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccc(Br)cc4)n3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C31H22Br2N4/c32-25-15-11-22(12-16-25)28-19-27(21-7-3-1-4-8-21)34-31(35-28)37-30(24-9-5-2-6-10-24)20-29(36-37)23-13-17-26(33)18-14-23/h1-19,30H,20H2
InChIKeyXPQOPFZIDLMKLB-UHFFFAOYSA-N
MW610.35 g/mol
LogP8.69
Rot. Bonds5

About 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine

4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine (PubChem CID 24807566) has the molecular formula C31H22Br2N4 and a molecular weight of 610.35 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
PubChem CID24807566
Molecular FormulaC31H22Br2N4
Molecular Weight610.35 g/mol
Exact Mass608.02
IUPAC Name4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
SMILESBrc1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccc(Br)cc4)n3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C31H22Br2N4/c32-25-15-11-22(12-16-25)28-19-27(21-7-3-1-4-8-21)34-31(35-28)37-30(24-9-5-2-6-10-24)20-29(36-37)23-13-17-26(33)18-14-23/h1-19,30H,20H2
InChIKeyXPQOPFZIDLMKLB-UHFFFAOYSA-N
XLogP8.69
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.35
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745
2-[(3S)-3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98363082
2-[3-(3-bromophenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 47085379
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
4-[4-[(3R)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium
CID 98328852
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine (CID 24807566) is 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine is Brc1ccc(C2=NN(c3nc(-c4ccccc4)cc(-c4ccc(Br)cc4)n3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine?
The InChIKey is XPQOPFZIDLMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22Br2N4/c32-25-15-11-22(12-16-25)28-19-27(21-7-3-1-4-8-21)34-31(35-28)37-30(24-9-5-2-6-10-24)20-29(36-37)23-13-17-26(33)18-14-23/h1-19,30H,20H2.
What are the key properties of 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine?
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine has a molecular weight of 610.35 g/mol, XLogP of 8.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine is sourced from PubChem (CID 24807566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).