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

C10H12F3N3O2 — CID 95741399

IUPAC(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCO1
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)/t8-/m0/s1
InChIKeyJTKDLGRFFRPREC-QMMMGPOBSA-N
MW263.22 g/mol
LogP1.56
Rot. Bonds3

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

(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 95741399) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID95741399
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name(2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCO1
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)/t8-/m0/s1
InChIKeyJTKDLGRFFRPREC-QMMMGPOBSA-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 (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide (CID 95741399) is (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is JTKDLGRFFRPREC-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide?
(2S)-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 (2S)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 95741399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).