N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide

C7H9F3N4O — CID 107335033

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCn1cc(CN)c(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-14-3-4(2-11)5(13-14)12-6(15)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,15)
InChIKeyGLFRAWYGJPNAHZ-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.38
Rot. Bonds2

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 107335033) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID107335033
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESCn1cc(CN)c(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-14-3-4(2-11)5(13-14)12-6(15)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,15)
InChIKeyGLFRAWYGJPNAHZ-UHFFFAOYSA-N
XLogP0.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 107335033) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide is Cn1cc(CN)c(NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is GLFRAWYGJPNAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-14-3-4(2-11)5(13-14)12-6(15)7(8,9)10/h3H,2,11H2,1H3,(H,12,13,15).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 222.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107335033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).