2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N4O — CID 115290171

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H21F3N4O/c1-4-10(5-2)20(8-13(14,15)16)12(21)11(17)9-6-18-19(3)7-9/h6-7,10-11H,4-5,8,17H2,1-3H3
InChIKeyKOSISMZWJCXISQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.00
Rot. Bonds6

About 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115290171) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115290171
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C13H21F3N4O/c1-4-10(5-2)20(8-13(14,15)16)12(21)11(17)9-6-18-19(3)7-9/h6-7,10-11H,4-5,8,17H2,1-3H3
InChIKeyKOSISMZWJCXISQ-UHFFFAOYSA-N
XLogP2.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)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-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 115290171) is 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KOSISMZWJCXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-4-10(5-2)20(8-13(14,15)16)12(21)11(17)9-6-18-19(3)7-9/h6-7,10-11H,4-5,8,17H2,1-3H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 306.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115290171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).