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

C14H17F3N4O — CID 166940145

IUPAC3-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)nn2c1OCCC2
InChIInChI=1S/C14H17F3N4O/c1-9(2)11-12(19-21-4-3-5-22-13(11)21)10-6-18-20(7-10)8-14(15,16)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQQOFEKJGHWXKBC-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.21
Rot. Bonds3

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

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 166940145) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 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 Name3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166940145
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name3-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)nn2c1OCCC2
InChIInChI=1S/C14H17F3N4O/c1-9(2)11-12(19-21-4-3-5-22-13(11)21)10-6-18-20(7-10)8-14(15,16)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyQQOFEKJGHWXKBC-UHFFFAOYSA-N
XLogP3.21
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 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 166940145) is 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 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 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)nn2c1OCCC2.
What is the InChIKey of 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 QQOFEKJGHWXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-9(2)11-12(19-21-4-3-5-22-13(11)21)10-6-18-20(7-10)8-14(15,16)17/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
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 314.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 166940145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).