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

C10H7F3N3O2S- — CID 7098148

IUPAC4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate
SMILESCc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)[O-])s2)n1
InChIInChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18)/p-1
InChIKeyVXTJZESZLCPVLW-UHFFFAOYSA-M
MW290.25 g/mol
LogP1.33
Rot. Bonds2

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

4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 7098148) has the molecular formula C10H7F3N3O2S- and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID7098148
Molecular FormulaC10H7F3N3O2S-
Molecular Weight290.25 g/mol
Exact Mass290.02
IUPAC Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate
SMILESCc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)[O-])s2)n1
InChIInChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18)/p-1
InChIKeyVXTJZESZLCPVLW-UHFFFAOYSA-M
XLogP1.33
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate (CID 7098148) is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate is Cc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)[O-])s2)n1.
What is the InChIKey of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is VXTJZESZLCPVLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18)/p-1.
What are the key properties of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 290.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7098148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).