[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone

C21H22F3N5O2 — CID 46366309

IUPAC[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C21H22F3N5O2/c1-3-16-19(11(2)27-31-16)15-5-4-8-28(15)20(30)14-10-18-25-13(12-6-7-12)9-17(21(22,23)24)29(18)26-14/h9-10,12,15H,3-8H2,1-2H3
InChIKeyIMCDLLKGWQSCQB-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.46
Rot. Bonds4

About [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 46366309) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID46366309
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCCc1onc(C)c1C1CCCN1C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C21H22F3N5O2/c1-3-16-19(11(2)27-31-16)15-5-4-8-28(15)20(30)14-10-18-25-13(12-6-7-12)9-17(21(22,23)24)29(18)26-14/h9-10,12,15H,3-8H2,1-2H3
InChIKeyIMCDLLKGWQSCQB-UHFFFAOYSA-N
XLogP4.46
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

5-cyclopropyl-N-(5-methyl-3-isoxazolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2164708
US11186582, Example 434
CID 118472483
4-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-3,5-dimethyl-1,2-oxazole
CID 46366283
5-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-3-ethyl-1,2-oxazole
CID 47001476
5-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-3-(propan-2-YL)-1,2-oxazole
CID 47001677
7-(Difluoromethyl)-3-{[2-(3,5-dimethyl-4-isoxazolyl)-1-pyrrolidinyl]carbonyl}-5-phenylpyrazolo[1,5-a]pyrimidine
CID 47001701
5-Methyl-3-{1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 50809094
3-{1-[7-(Difluoromethyl)-5-phenylpyrazolo[1,5-A]pyrimidine-3-carbonyl]pyrrolidin-2-YL}-5-methyl-1,2-oxazole
CID 50809219
3-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-5-methyl-1,2-oxazole
CID 50809295
5-{1-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carbonyl]pyrrolidin-2-YL}-3-methyl-1,2-oxazole
CID 50809658
[2-(5-Methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 50809145
3-(1-{6-Bromopyrazolo[1,5-A]pyrimidine-3-carbonyl}pyrrolidin-2-YL)-5-propyl-1,2-oxazole
CID 50809202

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone (CID 46366309) is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone is CCc1onc(C)c1C1CCCN1C(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IMCDLLKGWQSCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-3-16-19(11(2)27-31-16)15-5-4-8-28(15)20(30)14-10-18-25-13(12-6-7-12)9-17(21(22,23)24)29(18)26-14/h9-10,12,15H,3-8H2,1-2H3.
What are the key properties of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 433.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 46366309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).