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

C20H16F3N5O3 — CID 46366273

IUPAC[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1
InChIInChI=1S/C20H16F3N5O3/c1-11-8-13(26-31-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-30-16/h3,5,7-10,15H,2,4,6H2,1H3
InChIKeyZATBBSBGCPIOJA-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.28
Rot. Bonds3

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

[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 46366273) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-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-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID46366273
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1
InChIInChI=1S/C20H16F3N5O3/c1-11-8-13(26-31-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-30-16/h3,5,7-10,15H,2,4,6H2,1H3
InChIKeyZATBBSBGCPIOJA-UHFFFAOYSA-N
XLogP4.28
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-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-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 46366273) is [5-(furan-2-yl)-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-(furan-2-yl)-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-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)no1.
What is the InChIKey of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZATBBSBGCPIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-11-8-13(26-31-11)15-4-2-6-27(15)19(29)12-10-24-28-17(20(21,22)23)9-14(25-18(12)28)16-5-3-7-30-16/h3,5,7-10,15H,2,4,6H2,1H3.
What are the key properties of [5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[5-(furan-2-yl)-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 431.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-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 46366273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).