3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide

C10H9F3N4O2 — CID 95741236

IUPAC3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)on1
InChIInChI=1S/C10H9F3N4O2/c1-6-2-8(19-16-6)9(18)15-7-3-14-17(4-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,18)
InChIKeyONLLCCXVEHKTMC-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.99
Rot. Bonds3

About 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 95741236) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID95741236
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)on1
InChIInChI=1S/C10H9F3N4O2/c1-6-2-8(19-16-6)9(18)15-7-3-14-17(4-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,18)
InChIKeyONLLCCXVEHKTMC-UHFFFAOYSA-N
XLogP1.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide (CID 95741236) is 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)on1.
What is the InChIKey of 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is ONLLCCXVEHKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-6-2-8(19-16-6)9(18)15-7-3-14-17(4-7)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 274.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95741236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).