3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

C11H14F3N5O2 — CID 139012939

IUPAC3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCn1cc(C(NC(=O)N2CCNC(=O)C2)C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N5O2/c1-18-5-7(4-16-18)9(11(12,13)14)17-10(21)19-3-2-15-8(20)6-19/h4-5,9H,2-3,6H2,1H3,(H,15,20)(H,17,21)
InChIKeyWOAZXOSMPCRSKE-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.16
Rot. Bonds2

About 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 139012939) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID139012939
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Name3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCn1cc(C(NC(=O)N2CCNC(=O)C2)C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N5O2/c1-18-5-7(4-16-18)9(11(12,13)14)17-10(21)19-3-2-15-8(20)6-19/h4-5,9H,2-3,6H2,1H3,(H,15,20)(H,17,21)
InChIKeyWOAZXOSMPCRSKE-UHFFFAOYSA-N
XLogP0.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (CID 139012939) is 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is Cn1cc(C(NC(=O)N2CCNC(=O)C2)C(F)(F)F)cn1.
What is the InChIKey of 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is WOAZXOSMPCRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c1-18-5-7(4-16-18)9(11(12,13)14)17-10(21)19-3-2-15-8(20)6-19/h4-5,9H,2-3,6H2,1H3,(H,15,20)(H,17,21).
What are the key properties of 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 139012939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).