2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C10H12F3N3O2 — CID 62728591

IUPAC2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-4-14-16(5-7)6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17)
InChIKeyQMFYNVWVGYWCMI-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.56
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 62728591) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID62728591
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-4-14-16(5-7)6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17)
InChIKeyQMFYNVWVGYWCMI-UHFFFAOYSA-N
XLogP1.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 62728591) is 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is O=C(Nc1cnn(CC2CCCO2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is QMFYNVWVGYWCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(17)15-7-4-14-16(5-7)6-8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 263.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 62728591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).