3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C20H26F3N5O2 — CID 136761204

IUPAC3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)CCc4ccno4)C3)cc2N1
InChIInChI=1S/C20H26F3N5O2/c1-12(2)15-9-17(20(21,22)23)28-18(25-15)10-16(26-28)13-6-8-27(11-13)19(29)4-3-14-5-7-24-30-14/h5,7,10,12-13,15,17,25H,3-4,6,8-9,11H2,1-2H3/t13?,15-,17+/m0/s1
InChIKeyOQFIZGMRGQDPDA-BOBJKBKNSA-N
MW425.46 g/mol
LogP3.76
Rot. Bonds5

About 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 136761204) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID136761204
Molecular FormulaC20H26F3N5O2
Molecular Weight425.46 g/mol
Exact Mass425.20
IUPAC Name3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)CCc4ccno4)C3)cc2N1
InChIInChI=1S/C20H26F3N5O2/c1-12(2)15-9-17(20(21,22)23)28-18(25-15)10-16(26-28)13-6-8-27(11-13)19(29)4-3-14-5-7-24-30-14/h5,7,10,12-13,15,17,25H,3-4,6,8-9,11H2,1-2H3/t13?,15-,17+/m0/s1
InChIKeyOQFIZGMRGQDPDA-BOBJKBKNSA-N
XLogP3.76
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]butan-1-one
CID 136761269
(1-methylpyrazol-3-yl)-[(3S)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 135963333
(5S,7R)-5-propan-2-yl-2-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136891400
(1,5-dimethylpyrazol-4-yl)-[(3R)-3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 136735489
2-(4-methylpyrazol-1-yl)-1-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 136761290
(4-methylthiadiazol-5-yl)-[(3S)-3-[(5S,7S)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 137072598
(4-methylthiadiazol-5-yl)-[4-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136761283
1-[(3S)-3-[(5S,7R)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 137105896
1-[3-[(5S,7R)-5-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 136671246
[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 137090412
1-[4-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 136760450
[(3R)-3-[(5R,7R)-5-ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 136734891

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 136761204) is 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)CCc4ccno4)C3)cc2N1.
What is the InChIKey of 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is OQFIZGMRGQDPDA-BOBJKBKNSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c1-12(2)15-9-17(20(21,22)23)28-18(25-15)10-16(26-28)13-6-8-27(11-13)19(29)4-3-14-5-7-24-30-14/h5,7,10,12-13,15,17,25H,3-4,6,8-9,11H2,1-2H3/t13?,15-,17+/m0/s1.
What are the key properties of 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 425.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-yl)-1-[3-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 136761204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).