methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

C10H8F3N3O2S — CID 1497060

IUPACmethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-5-3-7(10(11,12)13)16(15-5)9-14-6(4-19-9)8(17)18-2/h3-4H,1-2H3
InChIKeyJKNBTYSUJHXOHD-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate

methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 1497060) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID1497060
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Namemethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-5-3-7(10(11,12)13)16(15-5)9-14-6(4-19-9)8(17)18-2/h3-4H,1-2H3
InChIKeyJKNBTYSUJHXOHD-UHFFFAOYSA-N
XLogP2.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate (CID 1497060) is methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JKNBTYSUJHXOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-5-3-7(10(11,12)13)16(15-5)9-14-6(4-19-9)8(17)18-2/h3-4H,1-2H3.
What are the key properties of methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 291.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1497060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).