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

C20H20F3N5O2 — CID 92893655

IUPAC[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1
InChIInChI=1S/C20H20F3N5O2/c1-2-12-8-16(30-26-12)15-4-3-7-27(15)19(29)14-10-18-24-13(11-5-6-11)9-17(20(21,22)23)28(18)25-14/h8-11,15H,2-7H2,1H3/t15-/m0/s1
InChIKeyQFBZZZVACFUDIE-HNNXBMFYSA-N
MW419.41 g/mol
LogP4.15
Rot. Bonds4

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

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92893655) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92893655
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)on1
InChIInChI=1S/C20H20F3N5O2/c1-2-12-8-16(30-26-12)15-4-3-7-27(15)19(29)14-10-18-24-13(11-5-6-11)9-17(20(21,22)23)28(18)25-14/h8-11,15H,2-7H2,1H3/t15-/m0/s1
InChIKeyQFBZZZVACFUDIE-HNNXBMFYSA-N
XLogP4.15
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 47001476
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 92736283
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 93064585
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 110223040
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92893627
[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809679
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanone
CID 92893649
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92731941
[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 92588815
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110222447

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 92893655) is [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-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]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is CCc1cc([C@@H]2CCCN2C(=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]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QFBZZZVACFUDIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-2-12-8-16(30-26-12)15-4-3-7-27(15)19(29)14-10-18-24-13(11-5-6-11)9-17(20(21,22)23)28(18)25-14/h8-11,15H,2-7H2,1H3/t15-/m0/s1.
What are the key properties of [5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 419.41 g/mol, XLogP of 4.15, 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]-[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).