3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

C11H14F3N3O2 — CID 90597792

IUPAC3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-8-6-15-17(7-8)9-1-3-19-4-2-9/h6-7,9H,1-5H2,(H,16,18)
InChIKeyHMWXTSFSOBOWOK-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.13
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide

3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (PubChem CID 90597792) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
PubChem CID90597792
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-8-6-15-17(7-8)9-1-3-19-4-2-9/h6-7,9H,1-5H2,(H,16,18)
InChIKeyHMWXTSFSOBOWOK-UHFFFAOYSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide (CID 90597792) is 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is O=C(CC(F)(F)F)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
The InChIKey is HMWXTSFSOBOWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-8-6-15-17(7-8)9-1-3-19-4-2-9/h6-7,9H,1-5H2,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide?
3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide has a molecular weight of 277.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 90597792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).