2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide

C9H13F3N4O — CID 79797260

IUPAC2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-4-6(5(2)16-15-4)14-7(17)8(3,13)9(10,11)12/h13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyJENBIQKCNWYLET-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797260) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797260
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-4-6(5(2)16-15-4)14-7(17)8(3,13)9(10,11)12/h13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyJENBIQKCNWYLET-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79797260) is 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is Cc1n[nH]c(C)c1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is JENBIQKCNWYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-4-6(5(2)16-15-4)14-7(17)8(3,13)9(10,11)12/h13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 250.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).