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

C21H16BrFN2 — CID 7453348

IUPAC(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C21H16BrFN2/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)24-25(21)20-9-5-4-8-18(20)23/h1-13,21H,14H2/t21-/m0/s1
InChIKeyOYBCXDRKNGWNKJ-NRFANRHFSA-N
MW395.28 g/mol
LogP5.94
Rot. Bonds3

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

(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 7453348) has the molecular formula C21H16BrFN2 and a molecular weight of 395.28 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID7453348
Molecular FormulaC21H16BrFN2
Molecular Weight395.28 g/mol
Exact Mass394.05
IUPAC Name(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C21H16BrFN2/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)24-25(21)20-9-5-4-8-18(20)23/h1-13,21H,14H2/t21-/m0/s1
InChIKeyOYBCXDRKNGWNKJ-NRFANRHFSA-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

3-(4-bromophenyl)-5-(3-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3142860
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3143263
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
4-[(3S)-2-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]benzonitrile
CID 102391374
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 3422586
(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 7127302
3-[3-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline
CID 3434506
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole (CID 7453348) is (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is Fc1ccccc1N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is OYBCXDRKNGWNKJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16BrFN2/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)24-25(21)20-9-5-4-8-18(20)23/h1-13,21H,14H2/t21-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole?
(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-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 (3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7453348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).