2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide

C11H17F3N4O — CID 115519414

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide
SMILESCn1cc(C(N)C(=O)NCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H17F3N4O/c1-18-7-8(6-17-18)9(15)10(19)16-5-3-2-4-11(12,13)14/h6-7,9H,2-5,15H2,1H3,(H,16,19)
InChIKeyNNQPYPGRPRJTMU-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.27
Rot. Bonds6

About 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide (PubChem CID 115519414) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide
PubChem CID115519414
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide
SMILESCn1cc(C(N)C(=O)NCCCCC(F)(F)F)cn1
InChIInChI=1S/C11H17F3N4O/c1-18-7-8(6-17-18)9(15)10(19)16-5-3-2-4-11(12,13)14/h6-7,9H,2-5,15H2,1H3,(H,16,19)
InChIKeyNNQPYPGRPRJTMU-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide (CID 115519414) is 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide is Cn1cc(C(N)C(=O)NCCCCC(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide?
The InChIKey is NNQPYPGRPRJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-18-7-8(6-17-18)9(15)10(19)16-5-3-2-4-11(12,13)14/h6-7,9H,2-5,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)acetamide is sourced from PubChem (CID 115519414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).