methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate

C10H10F3N3O2S — CID 163752717

IUPACmethyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(C2NC(C(F)(F)F)=CS2)cnn1C
InChIInChI=1S/C10H10F3N3O2S/c1-16-7(9(17)18-2)5(3-14-16)8-15-6(4-19-8)10(11,12)13/h3-4,8,15H,1-2H3
InChIKeyLRKKNEHNZJHDDI-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.95
Rot. Bonds2

About methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate

methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate (PubChem CID 163752717) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate
PubChem CID163752717
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Namemethyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(C2NC(C(F)(F)F)=CS2)cnn1C
InChIInChI=1S/C10H10F3N3O2S/c1-16-7(9(17)18-2)5(3-14-16)8-15-6(4-19-8)10(11,12)13/h3-4,8,15H,1-2H3
InChIKeyLRKKNEHNZJHDDI-UHFFFAOYSA-N
XLogP1.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate (CID 163752717) is methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate is COC(=O)c1c(C2NC(C(F)(F)F)=CS2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate?
The InChIKey is LRKKNEHNZJHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c1-16-7(9(17)18-2)5(3-14-16)8-15-6(4-19-8)10(11,12)13/h3-4,8,15H,1-2H3.
What are the key properties of methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate?
methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate has a molecular weight of 293.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[4-(trifluoromethyl)-2,3-dihydro-1,3-thiazol-2-yl]pyrazole-5-carboxylate is sourced from PubChem (CID 163752717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).