(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate

C10H8F3N3O3 — CID 162543139

IUPAC(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCc1cc(OC(=O)c2cn(C)nc2C(F)(F)F)no1
InChIInChI=1S/C10H8F3N3O3/c1-5-3-7(15-19-5)18-9(17)6-4-16(2)14-8(6)10(11,12)13/h3-4H,1-2H3
InChIKeyRWFGZKZVDPTLPT-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.95
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate

(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 162543139) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
PubChem CID162543139
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCc1cc(OC(=O)c2cn(C)nc2C(F)(F)F)no1
InChIInChI=1S/C10H8F3N3O3/c1-5-3-7(15-19-5)18-9(17)6-4-16(2)14-8(6)10(11,12)13/h3-4H,1-2H3
InChIKeyRWFGZKZVDPTLPT-UHFFFAOYSA-N
XLogP1.95
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate (CID 162543139) is (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate is Cc1cc(OC(=O)c2cn(C)nc2C(F)(F)F)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate?
The InChIKey is RWFGZKZVDPTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c1-5-3-7(15-19-5)18-9(17)6-4-16(2)14-8(6)10(11,12)13/h3-4H,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate?
(5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 275.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl) 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 162543139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).