(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

C26H20N4O2S — CID 55414239

IUPAC(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccn2)n1)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H20N4O2S/c31-24(15-21-18-33-26(28-21)23-13-7-8-14-27-23)32-17-20-16-30(22-11-5-2-6-12-22)29-25(20)19-9-3-1-4-10-19/h1-14,16,18H,15,17H2
InChIKeyVAPODFAHBKBRGY-UHFFFAOYSA-N
MW452.54 g/mol
LogP5.34
Rot. Bonds7

About (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 55414239) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID55414239
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2ccccn2)n1)OCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H20N4O2S/c31-24(15-21-18-33-26(28-21)23-13-7-8-14-27-23)32-17-20-16-30(22-11-5-2-6-12-22)29-25(20)19-9-3-1-4-10-19/h1-14,16,18H,15,17H2
InChIKeyVAPODFAHBKBRGY-UHFFFAOYSA-N
XLogP5.34
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
CID 7700000
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27864279
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16611691
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24548715
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 16567274
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55475545
(1,3-diphenylpyrazol-4-yl)methyl naphthalene-2-carboxylate
CID 7697736
(1,3-diphenylpyrazol-4-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608225
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
(1,3-diphenylpyrazol-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 7703542
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
(1,3-diphenylpyrazol-4-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55392353

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 55414239) is (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2ccccn2)n1)OCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is VAPODFAHBKBRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c31-24(15-21-18-33-26(28-21)23-13-7-8-14-27-23)32-17-20-16-30(22-11-5-2-6-12-22)29-25(20)19-9-3-1-4-10-19/h1-14,16,18H,15,17H2.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 452.54 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55414239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).