[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate

C20H14FN3O2S — CID 18283992

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H14FN3O2S/c21-16-6-2-14(3-7-16)19-23-17(13-27-19)12-26-20(25)15-4-8-18(9-5-15)24-11-1-10-22-24/h1-11,13H,12H2
InChIKeyBVOHSPDSPRYNHG-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.49
Rot. Bonds5

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate (PubChem CID 18283992) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate
PubChem CID18283992
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H14FN3O2S/c21-16-6-2-14(3-7-16)19-23-17(13-27-19)12-26-20(25)15-4-8-18(9-5-15)24-11-1-10-22-24/h1-11,13H,12H2
InChIKeyBVOHSPDSPRYNHG-UHFFFAOYSA-N
XLogP4.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US20230348450, Example 19
CID 162757075
US20230348450, Example 18
CID 162757113
US20230348450, Example 17
CID 162757351
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727551
Ethyl 2-(1,3-diphenylpyrazol-4-yl)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 118727553
Ethyl 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 118727559
Ethyl 4-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole-5-carboxylate
CID 118727561
1,3-Thiazol-4-ylmethyl 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 8003102
Ethyl 4-(2-((6-(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamido)benzoate
CID 16916911
2-(Diethylamino)ethyl 4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate;hydrochloride
CID 2327189
2-(2-pyridyl)ethyl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 53008848
ethyl 3-[2-(5-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-5-yl]-1-methyl-1H-pyrazole-5-carboxylate
CID 66633572

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate (CID 18283992) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate?
The InChIKey is BVOHSPDSPRYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-16-6-2-14(3-7-16)19-23-17(13-27-19)12-26-20(25)15-4-8-18(9-5-15)24-11-1-10-22-24/h1-11,13H,12H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate has a molecular weight of 379.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-pyrazol-1-ylbenzoate is sourced from PubChem (CID 18283992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).