3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide

C9H12F3N5O2 — CID 64524060

IUPAC3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H12F3N5O2/c1-17(3-7(18)14-4-9(10,11)12)8(19)5-2-6(13)16-15-5/h2H,3-4H2,1H3,(H,14,18)(H3,13,15,16)
InChIKeyUEQDJTYIJGMOFC-UHFFFAOYSA-N
MW279.22 g/mol
LogP-0.26
Rot. Bonds4

About 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524060) has the molecular formula C9H12F3N5O2 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64524060
Molecular FormulaC9H12F3N5O2
Molecular Weight279.22 g/mol
Exact Mass279.09
IUPAC Name3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H12F3N5O2/c1-17(3-7(18)14-4-9(10,11)12)8(19)5-2-6(13)16-15-5/h2H,3-4H2,1H3,(H,14,18)(H3,13,15,16)
InChIKeyUEQDJTYIJGMOFC-UHFFFAOYSA-N
XLogP-0.26
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide 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 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 64524060) is 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UEQDJTYIJGMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O2/c1-17(3-7(18)14-4-9(10,11)12)8(19)5-2-6(13)16-15-5/h2H,3-4H2,1H3,(H,14,18)(H3,13,15,16).
What are the key properties of 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 279.22 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).