[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone

C18H21F3N4O2 — CID 46967293

IUPAC[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCO4)C3)cc2n1
InChIInChI=1S/C18H21F3N4O2/c1-2-12-8-15(18(19,20)21)25-16(22-12)9-13(23-25)11-5-6-24(10-11)17(26)14-4-3-7-27-14/h8-9,11,14H,2-7,10H2,1H3
InChIKeyONRQXHFRGUSNQZ-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.81
Rot. Bonds3

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

[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 46967293) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID46967293
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCO4)C3)cc2n1
InChIInChI=1S/C18H21F3N4O2/c1-2-12-8-15(18(19,20)21)25-16(22-12)9-13(23-25)11-5-6-24(10-11)17(26)14-4-3-7-27-14/h8-9,11,14H,2-7,10H2,1H3
InChIKeyONRQXHFRGUSNQZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 46967293) is [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone is CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCO4)C3)cc2n1.
What is the InChIKey of [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ONRQXHFRGUSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-2-12-8-15(18(19,20)21)25-16(22-12)9-13(23-25)11-5-6-24(10-11)17(26)14-4-3-7-27-14/h8-9,11,14H,2-7,10H2,1H3.
What are the key properties of [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 382.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 46967293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).