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

C21H16BrFN2 — CID 7452769

IUPAC(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESFc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C21H16BrFN2/c22-17-11-9-15(10-12-17)20-14-21(16-5-2-1-3-6-16)25(24-20)19-8-4-7-18(23)13-19/h1-13,21H,14H2/t21-/m1/s1
InChIKeyRUDMFJHZXHKDJU-OAQYLSRUSA-N
MW395.28 g/mol
LogP5.94
Rot. Bonds3

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

(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 7452769) has the molecular formula C21H16BrFN2 and a molecular weight of 395.28 g/mol. Its IUPAC name is (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID7452769
Molecular FormulaC21H16BrFN2
Molecular Weight395.28 g/mol
Exact Mass394.05
IUPAC Name(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESFc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C21H16BrFN2/c22-17-11-9-15(10-12-17)20-14-21(16-5-2-1-3-6-16)25(24-20)19-8-4-7-18(23)13-19/h1-13,21H,14H2/t21-/m1/s1
InChIKeyRUDMFJHZXHKDJU-OAQYLSRUSA-N
XLogP5.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.28
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
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
3,5-bis(4-bromophenyl)-2-(3-chlorophenyl)-3,4-dihydropyrazole
CID 3703688
4-[5-(4-bromophenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129271
(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-[(3R)-5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-1-methyl-2,6-diphenylpyridin-1-ium
CID 98328852
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
5-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-2-methylpyridine
CID 101073019
4-(4-bromophenyl)-2-[5-(4-bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyrimidine
CID 24807566
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole (CID 7452769) is (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole is Fc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccccc2)c1.
What is the InChIKey of (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is RUDMFJHZXHKDJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16BrFN2/c22-17-11-9-15(10-12-17)20-14-21(16-5-2-1-3-6-16)25(24-20)19-8-4-7-18(23)13-19/h1-13,21H,14H2/t21-/m1/s1.
What are the key properties of (3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole?
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 395.28 g/mol, XLogP of 5.94, 3 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-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7452769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).