[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C18H16F3N5O2 — CID 99805458

IUPAC[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESC[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H16F3N5O2/c1-10-9-11(2)26-14(7-8-22-26)25(10)16(27)13-5-3-12(4-6-13)15-23-17(28-24-15)18(19,20)21/h3-8,10-11H,9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVUSZIEAVNVIFIA-GHMZBOCLSA-N
MW391.35 g/mol
LogP3.95
Rot. Bonds2

About [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 99805458) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID99805458
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESC[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H16F3N5O2/c1-10-9-11(2)26-14(7-8-22-26)25(10)16(27)13-5-3-12(4-6-13)15-23-17(28-24-15)18(19,20)21/h3-8,10-11H,9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVUSZIEAVNVIFIA-GHMZBOCLSA-N
XLogP3.95
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 99805458) is [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is VUSZIEAVNVIFIA-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-10-9-11(2)26-14(7-8-22-26)25(10)16(27)13-5-3-12(4-6-13)15-23-17(28-24-15)18(19,20)21/h3-8,10-11H,9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
[(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 391.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7R)-5,7-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 99805458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).