2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole

C26H19N3S — CID 3250858

IUPAC2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
SMILESC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H19N3S/c1-4-10-20(11-5-1)24-19-30-25(27-24)17-16-22-18-29(23-14-8-3-9-15-23)28-26(22)21-12-6-2-7-13-21/h1-19H
InChIKeyUGGPZJWTMOXJLZ-UHFFFAOYSA-N
MW405.53 g/mol
LogP6.83
Rot. Bonds5

About 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole

2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole (PubChem CID 3250858) has the molecular formula C26H19N3S and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
PubChem CID3250858
Molecular FormulaC26H19N3S
Molecular Weight405.53 g/mol
Exact Mass405.13
IUPAC Name2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
SMILESC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C26H19N3S/c1-4-10-20(11-5-1)24-19-30-25(27-24)17-16-22-18-29(23-14-8-3-9-15-23)28-26(22)21-12-6-2-7-13-21/h1-19H
InChIKeyUGGPZJWTMOXJLZ-UHFFFAOYSA-N
XLogP6.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
CID 169478562
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 71732963
4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
CID 139235497
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carbaldehyde
CID 71732594
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
CID 4050252
6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 34316863
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 4710356
4-(4-bromophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
CID 71732867
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole (CID 3250858) is 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole is C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole?
The InChIKey is UGGPZJWTMOXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3S/c1-4-10-20(11-5-1)24-19-30-25(27-24)17-16-22-18-29(23-14-8-3-9-15-23)28-26(22)21-12-6-2-7-13-21/h1-19H.
What are the key properties of 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole?
2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole has a molecular weight of 405.53 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 3250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).