2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C7H9F3N4O — CID 141194078

IUPAC2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-4(1-11)2-14(13-6)3-5(12)15/h2H,1,3,11H2,(H2,12,15)
InChIKeyQCDQCIIKLKSWPM-UHFFFAOYSA-N
MW222.17 g/mol
LogP-0.15
Rot. Bonds3

About 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194078) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194078
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNCc1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)6-4(1-11)2-14(13-6)3-5(12)15/h2H,1,3,11H2,(H2,12,15)
InChIKeyQCDQCIIKLKSWPM-UHFFFAOYSA-N
XLogP-0.15
TPSA86.93 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 ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194078) is 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NCc1cn(CC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QCDQCIIKLKSWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)6-4(1-11)2-14(13-6)3-5(12)15/h2H,1,3,11H2,(H2,12,15).
What are the key properties of 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 222.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).