2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide

C11H17F3N4O — CID 104618582

IUPAC2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-9(2,3)6-5-7(18-17-6)16-8(19)10(4,15)11(12,13)14/h5H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyOKKAKCGFMGKIGL-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 104618582) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID104618582
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-9(2,3)6-5-7(18-17-6)16-8(19)10(4,15)11(12,13)14/h5H,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyOKKAKCGFMGKIGL-UHFFFAOYSA-N
XLogP1.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide 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-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 104618582) is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(N)C(F)(F)F)n[nH]1.
What is the InChIKey of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is OKKAKCGFMGKIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-9(2,3)6-5-7(18-17-6)16-8(19)10(4,15)11(12,13)14/h5H,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 278.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 104618582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).