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

C10H13F3N4O — CID 141194072

IUPAC2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CNC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-6(3-15-7-1-2-7)4-17(16-9)5-8(14)18/h4,7,15H,1-3,5H2,(H2,14,18)
InChIKeyXQMIMBJHVFSZOZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.64
Rot. Bonds5

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

2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194072) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194072
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CNC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9-6(3-15-7-1-2-7)4-17(16-9)5-8(14)18/h4,7,15H,1-3,5H2,(H2,14,18)
InChIKeyXQMIMBJHVFSZOZ-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194072) is 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(CNC2CC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is XQMIMBJHVFSZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9-6(3-15-7-1-2-7)4-17(16-9)5-8(14)18/h4,7,15H,1-3,5H2,(H2,14,18).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).