(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C15H19F3N4O — CID 169034116

IUPAC(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cnn(CC(F)(F)F)c2)nn2c1O[C@@H](C)CC2
InChIInChI=1S/C15H19F3N4O/c1-9(2)12-13(20-22-5-4-10(3)23-14(12)22)11-6-19-21(7-11)8-15(16,17)18/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyFTZACQMCHLNUMU-JTQLQIEISA-N
MW328.34 g/mol
LogP3.60
Rot. Bonds3

About (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 169034116) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID169034116
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cnn(CC(F)(F)F)c2)nn2c1O[C@@H](C)CC2
InChIInChI=1S/C15H19F3N4O/c1-9(2)12-13(20-22-5-4-10(3)23-14(12)22)11-6-19-21(7-11)8-15(16,17)18/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyFTZACQMCHLNUMU-JTQLQIEISA-N
XLogP3.60
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 169034116) is (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)c1c(-c2cnn(CC(F)(F)F)c2)nn2c1O[C@@H](C)CC2.
What is the InChIKey of (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is FTZACQMCHLNUMU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-9(2)12-13(20-22-5-4-10(3)23-14(12)22)11-6-19-21(7-11)8-15(16,17)18/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 328.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 169034116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).