2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide

C8H11F3N4O — CID 63228603

IUPAC2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESNc1cnn(CC(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)1-2-13-7(16)5-15-4-6(12)3-14-15/h3-4H,1-2,5,12H2,(H,13,16)
InChIKeyBWNZBQNHGAWLLS-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.53
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 63228603) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID63228603
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESNc1cnn(CC(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)1-2-13-7(16)5-15-4-6(12)3-14-15/h3-4H,1-2,5,12H2,(H,13,16)
InChIKeyBWNZBQNHGAWLLS-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-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 63228603) is 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide is Nc1cnn(CC(=O)NCCC(F)(F)F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is BWNZBQNHGAWLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)1-2-13-7(16)5-15-4-6(12)3-14-15/h3-4H,1-2,5,12H2,(H,13,16).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(4-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-(4-aminopyrazol-1-yl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 63228603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).