N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C9H10F3N3O2 — CID 71789485

IUPACN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnn2c1OCCC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-13-7(16)6-4-14-15-2-1-3-17-8(6)15/h4H,1-3,5H2,(H,13,16)
InChIKeyBYVVCGAEDHLMIW-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.96
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789485) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789485
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnn2c1OCCC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-13-7(16)6-4-14-15-2-1-3-17-8(6)15/h4H,1-3,5H2,(H,13,16)
InChIKeyBYVVCGAEDHLMIW-UHFFFAOYSA-N
XLogP0.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide with MolForge

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carbaldehyde
CID 84649596
6-Methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
CID 84652336
3-methoxy-1-methyl-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1H-pyrazole-4-carboxamide
CID 49671009
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789433
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-B][1,3]oxazine-3-carboxylate
CID 52228126
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
N-cyclohexyl-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925381
(4-methylpiperazin-1-yl)(3-propoxy-1-propyl-1H-pyrazol-4-yl)methanone
CID 16925488
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789436

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789485) is N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCC(F)(F)F)c1cnn2c1OCCC2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is BYVVCGAEDHLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)5-13-7(16)6-4-14-15-2-1-3-17-8(6)15/h4H,1-3,5H2,(H,13,16).
What are the key properties of N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).