methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate

C15H12FN3O2S — CID 1490057

IUPACmethyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H12FN3O2S/c1-9-7-13(14(20)21-2)19(18-9)15-17-12(8-22-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyDBEFYOTUHWUMIZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.23
Rot. Bonds3

About methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate

methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate (PubChem CID 1490057) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate
PubChem CID1490057
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Namemethyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C15H12FN3O2S/c1-9-7-13(14(20)21-2)19(18-9)15-17-12(8-22-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyDBEFYOTUHWUMIZ-UHFFFAOYSA-N
XLogP3.23
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate (CID 1490057) is methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate is COC(=O)c1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate?
The InChIKey is DBEFYOTUHWUMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-9-7-13(14(20)21-2)19(18-9)15-17-12(8-22-15)10-3-5-11(16)6-4-10/h3-8H,1-2H3.
What are the key properties of methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate?
methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 1490057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).