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

C7H9F3N4O — CID 61492567

IUPAC2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccn(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-12-6(15)3-14-2-1-5(11)13-14/h1-2H,3-4H2,(H2,11,13)(H,12,15)
InChIKeyJOHNHECCPPWBIM-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.14
Rot. Bonds3

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

2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492567) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492567
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccn(CC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-12-6(15)3-14-2-1-5(11)13-14/h1-2H,3-4H2,(H2,11,13)(H,12,15)
InChIKeyJOHNHECCPPWBIM-UHFFFAOYSA-N
XLogP0.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492567) is 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccn(CC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JOHNHECCPPWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4-12-6(15)3-14-2-1-5(11)13-14/h1-2H,3-4H2,(H2,11,13)(H,12,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 222.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).