N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H9F3N4O — CID 78924535

IUPACN-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)14-5-1-12-13-2-5/h1-2,11H,3-4H2,(H,12,13)(H,14,15)
InChIKeyPWCAVJOGAIIMBB-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.50
Rot. Bonds4

About N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924535) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924535
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC NameN-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)14-5-1-12-13-2-5/h1-2,11H,3-4H2,(H,12,13)(H,14,15)
InChIKeyPWCAVJOGAIIMBB-UHFFFAOYSA-N
XLogP0.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-pyrazol-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

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2-[cyclopropyl(ethyl)amino]-N-(1H-pyrazol-4-yl)acetamide
CID 136517020
2-(4-Amino-1h-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43445368
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
CID 141335327
N-(difluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141360431
N-(trifluoromethyl)-1H-pyrazol-4-amine
CID 153675330

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924535) is N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PWCAVJOGAIIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)14-5-1-12-13-2-5/h1-2,11H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 222.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).