2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O — CID 114253532

IUPAC2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nn1C
InChIInChI=1S/C9H13F3N4O/c1-6-3-7(15-16(6)2)13-4-8(17)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyAAFKAOPFMZQDTG-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.82
Rot. Bonds4

About 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114253532) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114253532
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(NCC(=O)NCC(F)(F)F)nn1C
InChIInChI=1S/C9H13F3N4O/c1-6-3-7(15-16(6)2)13-4-8(17)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyAAFKAOPFMZQDTG-UHFFFAOYSA-N
XLogP0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,5-dimethylpyrazol-3-yl)amino]-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

Related Compounds

2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75497567
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
CID 114253602
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
1-(1,5-dimethylpyrazol-3-yl)-3-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]urea
CID 126826794
2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
2-(1H-pyrrol-3-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115686109

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114253532) is 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(NCC(=O)NCC(F)(F)F)nn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AAFKAOPFMZQDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-6-3-7(15-16(6)2)13-4-8(17)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114253532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).