4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole

C28H24ClN3O2S — CID 19586745

IUPAC4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccc(OC)cc1
InChIInChI=1S/C28H24ClN3O2S/c1-4-24-26(19-7-13-22(33-2)14-8-19)31-32(27(24)20-9-15-23(34-3)16-10-20)28-30-25(17-35-28)18-5-11-21(29)12-6-18/h5-17H,4H2,1-3H3
InChIKeyLZOFHPPJBVGJPA-UHFFFAOYSA-N
MW502.04 g/mol
LogP7.56
Rot. Bonds7

About 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 19586745) has the molecular formula C28H24ClN3O2S and a molecular weight of 502.04 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID19586745
Molecular FormulaC28H24ClN3O2S
Molecular Weight502.04 g/mol
Exact Mass501.13
IUPAC Name4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccc(OC)cc1
InChIInChI=1S/C28H24ClN3O2S/c1-4-24-26(19-7-13-22(33-2)14-8-19)31-32(27(24)20-9-15-23(34-3)16-10-20)28-30-25(17-35-28)18-5-11-21(29)12-6-18/h5-17H,4H2,1-3H3
InChIKeyLZOFHPPJBVGJPA-UHFFFAOYSA-N
XLogP7.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.04
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-5-methyl-4-phenyl-1,3-thiazole
CID 19586800
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 22308209
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
2-[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 17025576
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
CID 10527185
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)azetidin-2-one
CID 10343924
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587444
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-ethyl-8-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66502906
N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 3223742

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole (CID 19586745) is 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole is CCc1c(-c2ccc(OC)cc2)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is LZOFHPPJBVGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2S/c1-4-24-26(19-7-13-22(33-2)14-8-19)31-32(27(24)20-9-15-23(34-3)16-10-20)28-30-25(17-35-28)18-5-11-21(29)12-6-18/h5-17H,4H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 502.04 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 19586745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).