N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

C30H22Cl2N4O2S — CID 50741059

IUPACN-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(CC1SC(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(Cl)cc2)=NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C30H22Cl2N4O2S/c31-22-9-7-19(8-10-22)26-16-25(21-6-5-18-3-1-2-4-20(18)15-21)35-36(26)30-34-29(38)27(39-30)17-28(37)33-24-13-11-23(32)12-14-24/h1-15,26-27H,16-17H2,(H,33,37)
InChIKeySQCIZKMCFUCKHP-UHFFFAOYSA-N
MW573.51 g/mol
LogP7.32
Rot. Bonds5

About N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 50741059) has the molecular formula C30H22Cl2N4O2S and a molecular weight of 573.51 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID50741059
Molecular FormulaC30H22Cl2N4O2S
Molecular Weight573.51 g/mol
Exact Mass572.08
IUPAC NameN-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESO=C(CC1SC(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(Cl)cc2)=NC1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C30H22Cl2N4O2S/c31-22-9-7-19(8-10-22)26-16-25(21-6-5-18-3-1-2-4-20(18)15-21)35-36(26)30-34-29(38)27(39-30)17-28(37)33-24-13-11-23(32)12-14-24/h1-15,26-27H,16-17H2,(H,33,37)
InChIKeySQCIZKMCFUCKHP-UHFFFAOYSA-N
XLogP7.32
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.51
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
CID 50741028
2-[(5R)-2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-chlorophenyl)acetamide
CID 98270609
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98269964
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98269962
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 92683361
2-[2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 22547936
2-[(5R)-2-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 92683357
N-(4-chlorophenyl)-2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 43843912
N-(4-chlorophenyl)-2-[(5R)-2-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984704
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98270858
N-(4-chlorophenyl)-2-[2-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22548164
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 98269970

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 50741059) is N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is O=C(CC1SC(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(Cl)cc2)=NC1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is SQCIZKMCFUCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N4O2S/c31-22-9-7-19(8-10-22)26-16-25(21-6-5-18-3-1-2-4-20(18)15-21)35-36(26)30-34-29(38)27(39-30)17-28(37)33-24-13-11-23(32)12-14-24/h1-15,26-27H,16-17H2,(H,33,37).
What are the key properties of N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 573.51 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 50741059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).