N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide

C10H12F3N3O2 — CID 75358385

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-16-5-7(4-14-16)15-9(17)8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17)
InChIKeyJTKDLGRFFRPREC-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.56
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 75358385) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID75358385
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)6-16-5-7(4-14-16)15-9(17)8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17)
InChIKeyJTKDLGRFFRPREC-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 N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide (CID 75358385) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCO1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is JTKDLGRFFRPREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)6-16-5-7(4-14-16)15-9(17)8-2-1-3-18-8/h4-5,8H,1-3,6H2,(H,15,17).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide 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 N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 75358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).