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

C21H18F3N5O3 — CID 46366278

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C21H18F3N5O3/c1-11-18(12(2)32-27-11)15-5-3-7-28(15)20(30)13-10-25-29-17(21(22,23)24)9-14(26-19(13)29)16-6-4-8-31-16/h4,6,8-10,15H,3,5,7H2,1-2H3
InChIKeyIKKIPRLPJSQILC-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.59
Rot. Bonds3

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

[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 46366278) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID46366278
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1noc(C)c1C1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C21H18F3N5O3/c1-11-18(12(2)32-27-11)15-5-3-7-28(15)20(30)13-10-25-29-17(21(22,23)24)9-14(26-19(13)29)16-6-4-8-31-16/h4,6,8-10,15H,3,5,7H2,1-2H3
InChIKeyIKKIPRLPJSQILC-UHFFFAOYSA-N
XLogP4.59
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 46366278) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is Cc1noc(C)c1C1CCCN1C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is IKKIPRLPJSQILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c1-11-18(12(2)32-27-11)15-5-3-7-28(15)20(30)13-10-25-29-17(21(22,23)24)9-14(26-19(13)29)16-6-4-8-31-16/h4,6,8-10,15H,3,5,7H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 445.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 46366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).