2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H15F3N4O2 — CID 115290735

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCn1cc(C(N)C(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2/c1-17-5-7(4-16-17)8(14)9(18)15-2-3-19-6-10(11,12)13/h4-5,8H,2-3,6,14H2,1H3,(H,15,18)
InChIKeyQAZWFKBMPWRAAY-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.12
Rot. Bonds6

About 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 115290735) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID115290735
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESCn1cc(C(N)C(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O2/c1-17-5-7(4-16-17)8(14)9(18)15-2-3-19-6-10(11,12)13/h4-5,8H,2-3,6,14H2,1H3,(H,15,18)
InChIKeyQAZWFKBMPWRAAY-UHFFFAOYSA-N
XLogP0.12
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 115290735) is 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is Cn1cc(C(N)C(=O)NCCOCC(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is QAZWFKBMPWRAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-17-5-7(4-16-17)8(14)9(18)15-2-3-19-6-10(11,12)13/h4-5,8H,2-3,6,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 280.25 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 115290735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).