5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C21H21F3N6O2 — CID 163292000

IUPAC5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cccc(C(F)(F)F)c3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C21H21F3N6O2/c1-11(2)30-19(25)17(20(26)32)18(29-30)15-7-6-12(10-27-15)8-16(31)28-14-5-3-4-13(9-14)21(22,23)24/h3-7,9-11H,8,25H2,1-2H3,(H2,26,32)(H,28,31)
InChIKeyVIAUSBPFPTXKCQ-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.41
Rot. Bonds6

About 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292000) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292000
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cccc(C(F)(F)F)c3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C21H21F3N6O2/c1-11(2)30-19(25)17(20(26)32)18(29-30)15-7-6-12(10-27-15)8-16(31)28-14-5-3-4-13(9-14)21(22,23)24/h3-7,9-11H,8,25H2,1-2H3,(H2,26,32)(H,28,31)
InChIKeyVIAUSBPFPTXKCQ-UHFFFAOYSA-N
XLogP3.41
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-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 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292000) is 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cccc(C(F)(F)F)c3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VIAUSBPFPTXKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-11(2)30-19(25)17(20(26)32)18(29-30)15-7-6-12(10-27-15)8-16(31)28-14-5-3-4-13(9-14)21(22,23)24/h3-7,9-11H,8,25H2,1-2H3,(H2,26,32)(H,28,31).
What are the key properties of 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).