(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19BrN2O — CID 7411218

IUPAC(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1
InChIInChI=1S/C22H19BrN2O/c1-26-22-10-6-5-9-19(22)21-15-20(16-11-13-17(23)14-12-16)24-25(21)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3/t21-/m1/s1
InChIKeyCNYGZWFXLDSFKU-OAQYLSRUSA-N
MW407.31 g/mol
LogP5.81
Rot. Bonds4

About (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 7411218) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID7411218
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1
InChIInChI=1S/C22H19BrN2O/c1-26-22-10-6-5-9-19(22)21-15-20(16-11-13-17(23)14-12-16)24-25(21)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3/t21-/m1/s1
InChIKeyCNYGZWFXLDSFKU-OAQYLSRUSA-N
XLogP5.81
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
(3S)-2-(benzenesulfonyl)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 51471684
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498
(5S,10bS)-2-(4-bromophenyl)-5-(2-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51982656
5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-2-sulfanyl-3,4-dihydropyrazole
CID 139528327
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
1-(4-bromophenyl)-4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-(4-methylphenyl)pyrazole
CID 118734047
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 7411218) is (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1.
What is the InChIKey of (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is CNYGZWFXLDSFKU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19BrN2O/c1-26-22-10-6-5-9-19(22)21-15-20(16-11-13-17(23)14-12-16)24-25(21)18-7-3-2-4-8-18/h2-14,21H,15H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 407.31 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7411218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).