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

C8H11F3N4O2 — CID 103205709

IUPACN-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCn1ncc(N)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15-7(5(12)2-13-15)14-6(16)3-17-4-8(9,10)11/h2H,3-4,12H2,1H3,(H,14,16)
InChIKeyRKGGAVCYUKJIHQ-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.52
Rot. Bonds4

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

N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205709) has the molecular formula C8H11F3N4O2 and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205709
Molecular FormulaC8H11F3N4O2
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCn1ncc(N)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H11F3N4O2/c1-15-7(5(12)2-13-15)14-6(16)3-17-4-8(9,10)11/h2H,3-4,12H2,1H3,(H,14,16)
InChIKeyRKGGAVCYUKJIHQ-UHFFFAOYSA-N
XLogP0.52
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205709) is N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cn1ncc(N)c1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is RKGGAVCYUKJIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2/c1-15-7(5(12)2-13-15)14-6(16)3-17-4-8(9,10)11/h2H,3-4,12H2,1H3,(H,14,16).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 252.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).