2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline

C30H22BrFN4 — CID 97353782

IUPAC2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
SMILESCc1ccc2nc(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccc(F)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C30H22BrFN4/c1-19-7-16-26-25(17-19)29(22-5-3-2-4-6-22)34-30(33-26)36-28(21-10-14-24(32)15-11-21)18-27(35-36)20-8-12-23(31)13-9-20/h2-17,28H,18H2,1H3/t28-/m1/s1
InChIKeyACZQFEYQOFLWGU-MUUNZHRXSA-N
MW537.44 g/mol
LogP7.86
Rot. Bonds4

About 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline

2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline (PubChem CID 97353782) has the molecular formula C30H22BrFN4 and a molecular weight of 537.44 g/mol. Its IUPAC name is 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline.

Molecular Properties

Compound Name2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
PubChem CID97353782
Molecular FormulaC30H22BrFN4
Molecular Weight537.44 g/mol
Exact Mass536.10
IUPAC Name2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
SMILESCc1ccc2nc(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccc(F)cc3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C30H22BrFN4/c1-19-7-16-26-25(17-19)29(22-5-3-2-4-6-22)34-30(33-26)36-28(21-10-14-24(32)15-11-21)18-27(35-36)20-8-12-23(31)13-9-20/h2-17,28H,18H2,1H3/t28-/m1/s1
InChIKeyACZQFEYQOFLWGU-MUUNZHRXSA-N
XLogP7.86
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.44
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline with MolForge

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Related Compounds

2-[(3S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline
CID 98119816
2-[(3S)-3-(4-bromophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 25277062
2-[(3S)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 98119818
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
6-bromo-2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 5049462
4-[(3R)-2-(6-chloro-4-phenylquinazolin-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 40916471
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)-5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 98121629
2-[5-(4-bromophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 4320040
2-[3-(4-bromophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-chloro-4-phenylquinazoline
CID 71906211

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline?
The IUPAC name of 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline (CID 97353782) is 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline.
What is the SMILES notation for 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline?
The canonical SMILES for 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline is Cc1ccc2nc(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccc(F)cc3)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline?
The InChIKey is ACZQFEYQOFLWGU-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H22BrFN4/c1-19-7-16-26-25(17-19)29(22-5-3-2-4-6-22)34-30(33-26)36-28(21-10-14-24(32)15-11-21)18-27(35-36)20-8-12-23(31)13-9-20/h2-17,28H,18H2,1H3/t28-/m1/s1.
What are the key properties of 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline?
2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline has a molecular weight of 537.44 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-6-methyl-4-phenylquinazoline is sourced from PubChem (CID 97353782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).