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

C19H14BrFN2S — CID 7206586

IUPAC(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1
InChIInChI=1S/C19H14BrFN2S/c20-14-5-9-16(10-6-14)23-18(19-2-1-11-24-19)12-17(22-23)13-3-7-15(21)8-4-13/h1-11,18H,12H2/t18-/m1/s1
InChIKeyQNJIPZAEDKVUMA-GOSISDBHSA-N
MW401.30 g/mol
LogP6.01
Rot. Bonds3

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

(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 7206586) has the molecular formula C19H14BrFN2S and a molecular weight of 401.30 g/mol. Its IUPAC name is (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID7206586
Molecular FormulaC19H14BrFN2S
Molecular Weight401.30 g/mol
Exact Mass400.00
IUPAC Name(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1
InChIInChI=1S/C19H14BrFN2S/c20-14-5-9-16(10-6-14)23-18(19-2-1-11-24-19)12-17(22-23)13-3-7-15(21)8-4-13/h1-11,18H,12H2/t18-/m1/s1
InChIKeyQNJIPZAEDKVUMA-GOSISDBHSA-N
XLogP6.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.30
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 3093187
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
(3S)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331673
(3R)-5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7331674
(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051
1-[5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 47081862
2-(2,4-difluorophenyl)-5-(4-ethoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 3106194
(3S)-5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329383
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 174592956
[(3S)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 100750142

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole (CID 7206586) is (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1.
What is the InChIKey of (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is QNJIPZAEDKVUMA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H14BrFN2S/c20-14-5-9-16(10-6-14)23-18(19-2-1-11-24-19)12-17(22-23)13-3-7-15(21)8-4-13/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole?
(3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 401.30 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-bromophenyl)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 7206586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).