3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide

C11H14F3N3O2 — CID 146084965

IUPAC3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-9-1-3-15-17(9)6-8-2-4-19-7-8/h1,3,8H,2,4-7H2,(H,16,18)
InChIKeyCXQZWOKMPJFGFH-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.81
Rot. Bonds4

About 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide

3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 146084965) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
PubChem CID146084965
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ccnn1CC1CCOC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-9-1-3-15-17(9)6-8-2-4-19-7-8/h1,3,8H,2,4-7H2,(H,16,18)
InChIKeyCXQZWOKMPJFGFH-UHFFFAOYSA-N
XLogP1.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.81
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-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide (CID 146084965) is 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide is O=C(CC(F)(F)F)Nc1ccnn1CC1CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
The InChIKey is CXQZWOKMPJFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)5-10(18)16-9-1-3-15-17(9)6-8-2-4-19-7-8/h1,3,8H,2,4-7H2,(H,16,18).
What are the key properties of 3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide?
3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.81, 4 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-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 146084965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).