2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide

C12H19F3N4O — CID 86784396

IUPAC2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-4-5-9(16)11(20)18(2)6-8-7-19(3)17-10(8)12(13,14)15/h7,9H,4-6,16H2,1-3H3
InChIKeyBLFSDCGDEZFCSC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.52
Rot. Bonds5

About 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide

2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide (PubChem CID 86784396) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
PubChem CID86784396
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
SMILESCCCC(N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-4-5-9(16)11(20)18(2)6-8-7-19(3)17-10(8)12(13,14)15/h7,9H,4-6,16H2,1-3H3
InChIKeyBLFSDCGDEZFCSC-UHFFFAOYSA-N
XLogP1.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide 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-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The IUPAC name of 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide (CID 86784396) is 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide is CCCC(N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
The InChIKey is BLFSDCGDEZFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-5-9(16)11(20)18(2)6-8-7-19(3)17-10(8)12(13,14)15/h7,9H,4-6,16H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide?
2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide has a molecular weight of 292.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide is sourced from PubChem (CID 86784396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).