2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H11F3N4O — CID 60998173

IUPAC2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16)
InChIKeyIJXCPEXUAKTKCA-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.10
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60998173) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60998173
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16)
InChIKeyIJXCPEXUAKTKCA-UHFFFAOYSA-N
XLogP0.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)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-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998789
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
CID 61002889
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
2-ethyl-N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 125140250
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288784
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 103930364
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
methyl 4,4-difluoro-2-(1-methylpyrazol-4-yl)butanoate
CID 169116050

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60998173) is 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cn1cc(C(NCC(F)(F)F)C(N)=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IJXCPEXUAKTKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15-3-5(2-14-15)6(7(12)16)13-4-8(9,10)11/h2-3,6,13H,4H2,1H3,(H2,12,16).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60998173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).