2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 55035924

IUPAC2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H17F3N4O/c1-8(2)5-17(7-11(12,13)14)10(19)6-18-4-3-9(15)16-18/h3-4,8H,5-7H2,1-2H3,(H2,15,16)
InChIKeyAGCJMUFTRWQPPC-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.51
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55035924) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55035924
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H17F3N4O/c1-8(2)5-17(7-11(12,13)14)10(19)6-18-4-3-9(15)16-18/h3-4,8H,5-7H2,1-2H3,(H2,15,16)
InChIKeyAGCJMUFTRWQPPC-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 55035924) is 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AGCJMUFTRWQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8(2)5-17(7-11(12,13)14)10(19)6-18-4-3-9(15)16-18/h3-4,8H,5-7H2,1-2H3,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55035924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).