5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H12F3N5O2 — CID 2164708

IUPAC5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C15H12F3N5O2/c1-7-4-12(22-25-7)20-14(24)10-6-13-19-9(8-2-3-8)5-11(15(16,17)18)23(13)21-10/h4-6,8H,2-3H2,1H3,(H,20,22,24)
InChIKeyXTTZMLFXUOECJB-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.17
Rot. Bonds3

About 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2164708) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2164708
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1
InChIInChI=1S/C15H12F3N5O2/c1-7-4-12(22-25-7)20-14(24)10-6-13-19-9(8-2-3-8)5-11(15(16,17)18)23(13)21-10/h4-6,8H,2-3H2,1H3,(H,20,22,24)
InChIKeyXTTZMLFXUOECJB-UHFFFAOYSA-N
XLogP3.17
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2164708) is 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1.
What is the InChIKey of 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XTTZMLFXUOECJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c1-7-4-12(22-25-7)20-14(24)10-6-13-19-9(8-2-3-8)5-11(15(16,17)18)23(13)21-10/h4-6,8H,2-3H2,1H3,(H,20,22,24).
What are the key properties of 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 351.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2164708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).