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

C24H23BrN2 — CID 7290397

IUPAC(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
SMILESCC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C24H23BrN2/c1-17(2)18-8-10-20(11-9-18)24-16-23(19-12-14-21(25)15-13-19)26-27(24)22-6-4-3-5-7-22/h3-15,17,24H,16H2,1-2H3/t24-/m1/s1
InChIKeyVPMMLGJASFVTBL-XMMPIXPASA-N
MW419.37 g/mol
LogP6.93
Rot. Bonds4

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

(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole (PubChem CID 7290397) has the molecular formula C24H23BrN2 and a molecular weight of 419.37 g/mol. Its IUPAC name is (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
PubChem CID7290397
Molecular FormulaC24H23BrN2
Molecular Weight419.37 g/mol
Exact Mass418.10
IUPAC Name(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
SMILESCC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C24H23BrN2/c1-17(2)18-8-10-20(11-9-18)24-16-23(19-12-14-21(25)15-13-19)26-27(24)22-6-4-3-5-7-22/h3-15,17,24H,16H2,1-2H3/t24-/m1/s1
InChIKeyVPMMLGJASFVTBL-XMMPIXPASA-N
XLogP6.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 67499278
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
CID 101073019
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
3-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 3434506
4-[4-[(3R)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium
CID 98328852

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole (CID 7290397) is (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole is CC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole?
The InChIKey is VPMMLGJASFVTBL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23BrN2/c1-17(2)18-8-10-20(11-9-18)24-16-23(19-12-14-21(25)15-13-19)26-27(24)22-6-4-3-5-7-22/h3-15,17,24H,16H2,1-2H3/t24-/m1/s1.
What are the key properties of (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole?
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole has a molecular weight of 419.37 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7290397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).