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

C20H16F3N5O2S — CID 46366275

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1
InChIInChI=1S/C20H16F3N5O2S/c1-11-8-13(26-30-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-31-16/h3,5,7-10,15H,2,4,6H2,1H3
InChIKeyQYZMLRXEHGCASI-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.75
Rot. Bonds3

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

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 46366275) has the molecular formula C20H16F3N5O2S and a molecular weight of 447.44 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID46366275
Molecular FormulaC20H16F3N5O2S
Molecular Weight447.44 g/mol
Exact Mass447.10
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1
InChIInChI=1S/C20H16F3N5O2S/c1-11-8-13(26-30-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-31-16/h3,5,7-10,15H,2,4,6H2,1H3
InChIKeyQYZMLRXEHGCASI-UHFFFAOYSA-N
XLogP4.75
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 46366275) is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is QYZMLRXEHGCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S/c1-11-8-13(26-30-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-31-16/h3,5,7-10,15H,2,4,6H2,1H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 447.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 46366275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).