2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole

C33H29ClN4S — CID 155512685

IUPAC2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
SMILESClc1ccc(C2CC(c3ccc(N4CCCCC4)cc3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C33H29ClN4S/c34-28-14-10-25(11-15-28)32-21-30(24-12-16-29(17-13-24)37-18-4-1-5-19-37)36-38(32)33-35-31(22-39-33)27-9-8-23-6-2-3-7-26(23)20-27/h2-3,6-17,20,22,32H,1,4-5,18-19,21H2
InChIKeyPUSSJYBGCNLKOL-UHFFFAOYSA-N
MW549.14 g/mol
LogP8.96
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole

2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 155512685) has the molecular formula C33H29ClN4S and a molecular weight of 549.14 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
PubChem CID155512685
Molecular FormulaC33H29ClN4S
Molecular Weight549.14 g/mol
Exact Mass548.18
IUPAC Name2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
SMILESClc1ccc(C2CC(c3ccc(N4CCCCC4)cc3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C33H29ClN4S/c34-28-14-10-25(11-15-28)32-21-30(24-12-16-29(17-13-24)37-18-4-1-5-19-37)36-38(32)33-35-31(22-39-33)27-9-8-23-6-2-3-7-26(23)20-27/h2-3,6-17,20,22,32H,1,4-5,18-19,21H2
InChIKeyPUSSJYBGCNLKOL-UHFFFAOYSA-N
XLogP8.96
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.14
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
3-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one
CID 172871670
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide
CID 90484545
2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 5055987
3-[2-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one
CID 172880280
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
2-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 4069475
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
4-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488121

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole (CID 155512685) is 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole is Clc1ccc(C2CC(c3ccc(N4CCCCC4)cc3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is PUSSJYBGCNLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClN4S/c34-28-14-10-25(11-15-28)32-21-30(24-12-16-29(17-13-24)37-18-4-1-5-19-37)36-38(32)33-35-31(22-39-33)27-9-8-23-6-2-3-7-26(23)20-27/h2-3,6-17,20,22,32H,1,4-5,18-19,21H2.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole?
2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 549.14 g/mol, XLogP of 8.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 155512685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).