2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

C30H23BrN4 — CID 25277062

IUPAC2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C30H23BrN4/c1-20-11-13-21(14-12-20)27-19-28(22-15-17-24(31)18-16-22)35(34-27)30-32-26-10-6-5-9-25(26)29(33-30)23-7-3-2-4-8-23/h2-18,28H,19H2,1H3/t28-/m0/s1
InChIKeyQSGNUBCFFQMIQR-NDEPHWFRSA-N
MW519.45 g/mol
LogP7.72
Rot. Bonds4

About 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline

2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (PubChem CID 25277062) has the molecular formula C30H23BrN4 and a molecular weight of 519.45 g/mol. Its IUPAC name is 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
PubChem CID25277062
Molecular FormulaC30H23BrN4
Molecular Weight519.45 g/mol
Exact Mass518.11
IUPAC Name2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
SMILESCc1ccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C30H23BrN4/c1-20-11-13-21(14-12-20)27-19-28(22-15-17-24(31)18-16-22)35(34-27)30-32-26-10-6-5-9-25(26)29(33-30)23-7-3-2-4-8-23/h2-18,28H,19H2,1H3/t28-/m0/s1
InChIKeyQSGNUBCFFQMIQR-NDEPHWFRSA-N
XLogP7.72
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.45
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 97353782
2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
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-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 41011325
6-chloro-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25360474
2-[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 99797583
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 97063960
2-[(3R)-3-(3-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-chlorophenyl)quinazoline
CID 98363081
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
CID 24807566

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The IUPAC name of 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline (CID 25277062) is 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline.
What is the SMILES notation for 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The canonical SMILES for 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is Cc1ccc(C2=NN(c3nc(-c4ccccc4)c4ccccc4n3)[C@H](c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
The InChIKey is QSGNUBCFFQMIQR-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H23BrN4/c1-20-11-13-21(14-12-20)27-19-28(22-15-17-24(31)18-16-22)35(34-27)30-32-26-10-6-5-9-25(26)29(33-30)23-7-3-2-4-8-23/h2-18,28H,19H2,1H3/t28-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline?
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline has a molecular weight of 519.45 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline is sourced from PubChem (CID 25277062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).