2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole

C26H21ClFN3OS — CID 5055987

IUPAC2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)CC3c3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C26H21ClFN3OS/c1-16-3-5-17(6-4-16)22-14-24(18-7-10-20(27)11-8-18)31(30-22)26-29-23(15-33-26)19-9-12-25(32-2)21(28)13-19/h3-13,15,24H,14H2,1-2H3
InChIKeyBIBXPCPHSHSHHZ-UHFFFAOYSA-N
MW477.99 g/mol
LogP7.28
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole

2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 5055987) has the molecular formula C26H21ClFN3OS and a molecular weight of 477.99 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
PubChem CID5055987
Molecular FormulaC26H21ClFN3OS
Molecular Weight477.99 g/mol
Exact Mass477.11
IUPAC Name2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)CC3c3ccc(Cl)cc3)n2)cc1F
InChIInChI=1S/C26H21ClFN3OS/c1-16-3-5-17(6-4-16)22-14-24(18-7-10-20(27)11-8-18)31(30-22)26-29-23(15-33-26)19-9-12-25(32-2)21(28)13-19/h3-13,15,24H,14H2,1-2H3
InChIKeyBIBXPCPHSHSHHZ-UHFFFAOYSA-N
XLogP7.28
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-2-[3-(4-chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 4129722
4-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 46936081
4-(3-fluoro-4-methoxyphenyl)-2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 42588568
4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide
CID 90484545
2-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 4069475
4-(4-chlorophenyl)-2-[(3R)-5-methyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 41087916
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
4-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35412863
2-[3-(4-chlorophenyl)-5-(4-piperidin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 155512685
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-5-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 2840072
2-[(3S)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 41062889

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole (CID 5055987) is 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)CC3c3ccc(Cl)cc3)n2)cc1F.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is BIBXPCPHSHSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3OS/c1-16-3-5-17(6-4-16)22-14-24(18-7-10-20(27)11-8-18)31(30-22)26-29-23(15-33-26)19-9-12-25(32-2)21(28)13-19/h3-13,15,24H,14H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 477.99 g/mol, XLogP of 7.28, 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-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 5055987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).