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

C21H22F3N5O2 — CID 47001677

IUPAC[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1
InChIInChI=1S/C21H22F3N5O2/c1-11(2)13-8-17(31-27-13)16-4-3-7-28(16)20(30)15-10-19-25-14(12-5-6-12)9-18(21(22,23)24)29(19)26-15/h8-12,16H,3-7H2,1-2H3
InChIKeyCFCKUVIQXVADAI-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.71
Rot. Bonds4

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

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 47001677) 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-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID47001677
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1
InChIInChI=1S/C21H22F3N5O2/c1-11(2)13-8-17(31-27-13)16-4-3-7-28(16)20(30)15-10-19-25-14(12-5-6-12)9-18(21(22,23)24)29(19)26-15/h8-12,16H,3-7H2,1-2H3
InChIKeyCFCKUVIQXVADAI-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 47001677) is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1.
What is the InChIKey of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CFCKUVIQXVADAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-11(2)13-8-17(31-27-13)16-4-3-7-28(16)20(30)15-10-19-25-14(12-5-6-12)9-18(21(22,23)24)29(19)26-15/h8-12,16H,3-7H2,1-2H3.
What are the key properties of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 433.43 g/mol, XLogP of 4.71, 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-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47001677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).