(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole

C21H17BrN2 — CID 7071800

IUPAC(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2/t21-/m1/s1
InChIKeyKFSWJSAWJQGHTF-OAQYLSRUSA-N
MW377.29 g/mol
LogP5.80
Rot. Bonds3

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

(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole (PubChem CID 7071800) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
PubChem CID7071800
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESBrc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2/t21-/m1/s1
InChIKeyKFSWJSAWJQGHTF-OAQYLSRUSA-N
XLogP5.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.80
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
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
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
2,3-bis(4-bromophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142862
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
3-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 3434506
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
CID 24807566
(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7453348
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
CID 101073019
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole (CID 7071800) is (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole is Brc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is KFSWJSAWJQGHTF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2/t21-/m1/s1.
What are the key properties of (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 377.29 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).