N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C17H21F3N4O — CID 119608640

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)22-15(25)12-5-4-6-13(9-12)24-8-7-14(23-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,22,25)
InChIKeyWZQIYCJVXRPOPL-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.99
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119608640) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119608640
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)22-15(25)12-5-4-6-13(9-12)24-8-7-14(23-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,22,25)
InChIKeyWZQIYCJVXRPOPL-UHFFFAOYSA-N
XLogP2.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide 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 N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119608640) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CC(C)C(C)(CN)NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is WZQIYCJVXRPOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11(2)16(3,10-21)22-15(25)12-5-4-6-13(9-12)24-8-7-14(23-24)17(18,19)20/h4-9,11H,10,21H2,1-3H3,(H,22,25).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119608640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).