[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C23H20F3N5O3 — CID 50809128

IUPAC[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCCC3c3cc(C)on3)c2n1
InChIInChI=1S/C23H20F3N5O3/c1-13-10-17(29-34-13)18-7-5-9-30(18)22(32)15-12-27-31-20(23(24,25)26)11-16(28-21(15)31)14-6-3-4-8-19(14)33-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3
InChIKeyOOJQLIIDJCCRLD-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.70
Rot. Bonds4

About [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 50809128) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID50809128
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC Name[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCCC3c3cc(C)on3)c2n1
InChIInChI=1S/C23H20F3N5O3/c1-13-10-17(29-34-13)18-7-5-9-30(18)22(32)15-12-27-31-20(23(24,25)26)11-16(28-21(15)31)14-6-3-4-8-19(14)33-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3
InChIKeyOOJQLIIDJCCRLD-UHFFFAOYSA-N
XLogP4.70
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 47001743
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731561
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92893627
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46366270
(2,3-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 91767685
[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 51548409
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 99926957
[(2S)-1-ethoxy-1-oxopropan-2-yl] 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 92736060
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 20895676
(4-chlorophenyl)methyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 20894848
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 22586646

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 50809128) is [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CCCC3c3cc(C)on3)c2n1.
What is the InChIKey of [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OOJQLIIDJCCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-13-10-17(29-34-13)18-7-5-9-30(18)22(32)15-12-27-31-20(23(24,25)26)11-16(28-21(15)31)14-6-3-4-8-19(14)33-2/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3.
What are the key properties of [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 471.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50809128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).