N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide

C6H7F3N4O — CID 107335226

IUPACN-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-4(3(10)2-11-13)12-5(14)6(7,8)9/h2H,10H2,1H3,(H,12,14)
InChIKeyOGWPOLQCGVGAQK-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.50
Rot. Bonds1

About N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide

N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 107335226) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID107335226
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
SMILESCn1ncc(N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3N4O/c1-13-4(3(10)2-11-13)12-5(14)6(7,8)9/h2H,10H2,1H3,(H,12,14)
InChIKeyOGWPOLQCGVGAQK-UHFFFAOYSA-N
XLogP0.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide (CID 107335226) is N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide is Cn1ncc(N)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OGWPOLQCGVGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-4(3(10)2-11-13)12-5(14)6(7,8)9/h2H,10H2,1H3,(H,12,14).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide?
N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 208.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).