(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide

C13H13F3N4O — CID 99614811

IUPAC(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-20-7-10(6-18-20)19-11(12(17)21)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H2,17,21)/t11-/m0/s1
InChIKeyVDIMTYUCZPAELL-NSHDSACASA-N
MW298.27 g/mol
LogP2.08
Rot. Bonds5

About (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide

(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide (PubChem CID 99614811) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide
PubChem CID99614811
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide
SMILESNC(=O)[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-20-7-10(6-18-20)19-11(12(17)21)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H2,17,21)/t11-/m0/s1
InChIKeyVDIMTYUCZPAELL-NSHDSACASA-N
XLogP2.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]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-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
CID 75507076
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
2-anilino-2-phenylacetamide;ethane
CID 142824395
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
1-benzoyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 136526513
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 136580444
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide (CID 99614811) is (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide is NC(=O)[C@@H](Nc1cnn(CC(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide?
The InChIKey is VDIMTYUCZPAELL-NSHDSACASA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)8-20-7-10(6-18-20)19-11(12(17)21)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H2,17,21)/t11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide?
(2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide has a molecular weight of 298.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]acetamide is sourced from PubChem (CID 99614811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).