1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H11F3N4O2 — CID 5299219

IUPAC1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H11F3N4O2/c1-22-11(8-13(21-22)15(16,17)18)14(23)20-10-4-2-9(3-5-10)12-6-7-19-24-12/h2-8H,1H3,(H,20,23)
InChIKeyFWZYWSYFURWQMH-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.35
Rot. Bonds3

About 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 5299219) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID5299219
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H11F3N4O2/c1-22-11(8-13(21-22)15(16,17)18)14(23)20-10-4-2-9(3-5-10)12-6-7-19-24-12/h2-8H,1H3,(H,20,23)
InChIKeyFWZYWSYFURWQMH-UHFFFAOYSA-N
XLogP3.35
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 5299219) is 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccno2)cc1.
What is the InChIKey of 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FWZYWSYFURWQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-22-11(8-13(21-22)15(16,17)18)14(23)20-10-4-2-9(3-5-10)12-6-7-19-24-12/h2-8H,1H3,(H,20,23).
What are the key properties of 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5299219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).