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

C11H11F2N3O2S — CID 90383287

IUPACmethyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C(F)F)c(C)s2)cnn1C
InChIInChI=1S/C11H11F2N3O2S/c1-5-7(9(12)13)15-10(19-5)6-4-14-16(2)8(6)11(17)18-3/h4,9H,1-3H3
InChIKeyWDTLIWDYJHGQBH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds3

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

methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate (PubChem CID 90383287) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
PubChem CID90383287
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Namemethyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2nc(C(F)F)c(C)s2)cnn1C
InChIInChI=1S/C11H11F2N3O2S/c1-5-7(9(12)13)15-10(19-5)6-4-14-16(2)8(6)11(17)18-3/h4,9H,1-3H3
InChIKeyWDTLIWDYJHGQBH-UHFFFAOYSA-N
XLogP2.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate (CID 90383287) is methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate is COC(=O)c1c(-c2nc(C(F)F)c(C)s2)cnn1C.
What is the InChIKey of methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
The InChIKey is WDTLIWDYJHGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-5-7(9(12)13)15-10(19-5)6-4-14-16(2)8(6)11(17)18-3/h4,9H,1-3H3.
What are the key properties of methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate?
methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate has a molecular weight of 287.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 90383287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).