2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

C11H14F3N3O2 — CID 126793619

IUPAC2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1CCCO1)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-17-4-3-9(16-17)15-10(18)6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,18)
InChIKeyGBRDDPNVFQLBMG-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.95
Rot. Bonds4

About 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 126793619) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
PubChem CID126793619
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CC1CCCO1)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-17-4-3-9(16-17)15-10(18)6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,18)
InChIKeyGBRDDPNVFQLBMG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (CID 126793619) is 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is O=C(CC1CCCO1)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is GBRDDPNVFQLBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)7-17-4-3-9(16-17)15-10(18)6-8-2-1-5-19-8/h3-4,8H,1-2,5-7H2,(H,15,16,18).
What are the key properties of 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 126793619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).