3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide

C10H12F3N5O2 — CID 139013293

IUPAC3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)6-18-3-1-7(16-18)15-9(20)17-4-2-14-8(19)5-17/h1,3H,2,4-6H2,(H,14,19)(H,15,16,20)
InChIKeyLOEUEIGYSHEJGV-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.41
Rot. Bonds2

About 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide

3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide (PubChem CID 139013293) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
PubChem CID139013293
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1
InChIInChI=1S/C10H12F3N5O2/c11-10(12,13)6-18-3-1-7(16-18)15-9(20)17-4-2-14-8(19)5-17/h1,3H,2,4-6H2,(H,14,19)(H,15,16,20)
InChIKeyLOEUEIGYSHEJGV-UHFFFAOYSA-N
XLogP0.41
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide (CID 139013293) is 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide is O=C1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)CCN1.
What is the InChIKey of 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The InChIKey is LOEUEIGYSHEJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c11-10(12,13)6-18-3-1-7(16-18)15-9(20)17-4-2-14-8(19)5-17/h1,3H,2,4-6H2,(H,14,19)(H,15,16,20).
What are the key properties of 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide?
3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide has a molecular weight of 291.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 139013293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).