1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C10H9F3N4O2 — CID 4769915

IUPAC1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)no1
InChIInChI=1S/C10H9F3N4O2/c1-5-3-8(16-19-5)14-9(18)6-4-7(10(11,12)13)17(2)15-6/h3-4H,1-2H3,(H,14,16,18)
InChIKeyJGBVRZPYSVGHDH-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.99
Rot. Bonds2

About 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769915) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769915
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)no1
InChIInChI=1S/C10H9F3N4O2/c1-5-3-8(16-19-5)14-9(18)6-4-7(10(11,12)13)17(2)15-6/h3-4H,1-2H3,(H,14,16,18)
InChIKeyJGBVRZPYSVGHDH-UHFFFAOYSA-N
XLogP1.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769915) is 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)no1.
What is the InChIKey of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is JGBVRZPYSVGHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-5-3-8(16-19-5)14-9(18)6-4-7(10(11,12)13)17(2)15-6/h3-4H,1-2H3,(H,14,16,18).
What are the key properties of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 274.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).