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

C8H11F3N4O — CID 63228824

IUPAC2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESNc1ccn(CC(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-3-13-7(16)5-15-4-1-6(12)14-15/h1,4H,2-3,5H2,(H2,12,14)(H,13,16)
InChIKeyHOFTVZYLWXDJCY-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.53
Rot. Bonds4

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

2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 63228824) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID63228824
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESNc1ccn(CC(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-3-13-7(16)5-15-4-1-6(12)14-15/h1,4H,2-3,5H2,(H2,12,14)(H,13,16)
InChIKeyHOFTVZYLWXDJCY-UHFFFAOYSA-N
XLogP0.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.53
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-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 63228824) is 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide is Nc1ccn(CC(=O)NCCC(F)(F)F)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is HOFTVZYLWXDJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)2-3-13-7(16)5-15-4-1-6(12)14-15/h1,4H,2-3,5H2,(H2,12,14)(H,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.53, 4 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-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 63228824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).