5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H16F3N5O4 — CID 1257184

IUPAC5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC
InChIInChI=1S/C20H16F3N5O4/c1-10-6-17(27-32-10)25-19(29)13-9-18-24-12(8-16(20(21,22)23)28(18)26-13)11-4-5-14(30-2)15(7-11)31-3/h4-9H,1-3H3,(H,25,27,29)
InChIKeyHYKNHFHXGWYCIJ-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.98
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1257184) has the molecular formula C20H16F3N5O4 and a molecular weight of 447.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1257184
Molecular FormulaC20H16F3N5O4
Molecular Weight447.37 g/mol
Exact Mass447.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC
InChIInChI=1S/C20H16F3N5O4/c1-10-6-17(27-32-10)25-19(29)13-9-18-24-12(8-16(20(21,22)23)28(18)26-13)11-4-5-14(30-2)15(7-11)31-3/h4-9H,1-3H3,(H,25,27,29)
InChIKeyHYKNHFHXGWYCIJ-UHFFFAOYSA-N
XLogP3.98
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1257184) is 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)on4)cc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HYKNHFHXGWYCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O4/c1-10-6-17(27-32-10)25-19(29)13-9-18-24-12(8-16(20(21,22)23)28(18)26-13)11-4-5-14(30-2)15(7-11)31-3/h4-9H,1-3H3,(H,25,27,29).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 447.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1257184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).