2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

C22H16FN3S2 — CID 7124956

IUPAC2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)20-13-18(21-7-4-12-27-21)25-26(20)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2/t20-/m1/s1
InChIKeyKYHJJIBXAUYJAB-HXUWFJFHSA-N
MW405.52 g/mol
LogP6.37
Rot. Bonds4

About 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole

2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (PubChem CID 7124956) has the molecular formula C22H16FN3S2 and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
PubChem CID7124956
Molecular FormulaC22H16FN3S2
Molecular Weight405.52 g/mol
Exact Mass405.08
IUPAC Name2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)20-13-18(21-7-4-12-27-21)25-26(20)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2/t20-/m1/s1
InChIKeyKYHJJIBXAUYJAB-HXUWFJFHSA-N
XLogP6.37
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 40786752
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
(3S)-3-(4-fluorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7263592
4-(2,5-dimethylphenyl)-2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 25287487
4-[4-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine;hydrobromide
CID 90484557
4-(4-nitrophenyl)-2-[(3R)-3-(4-nitrophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 94036572
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
4-(4-bromophenyl)-2-[5-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 118732473
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
CID 45151510

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole (CID 7124956) is 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is Fc1ccc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
The InChIKey is KYHJJIBXAUYJAB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H16FN3S2/c23-17-10-8-16(9-11-17)20-13-18(21-7-4-12-27-21)25-26(20)22-24-19(14-28-22)15-5-2-1-3-6-15/h1-12,14,20H,13H2/t20-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole?
2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole has a molecular weight of 405.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 7124956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).