N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H11F3N4O — CID 78958469

IUPACN-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1nccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-15-6(2-3-13-15)14-7(16)4-12-5-8(9,10)11/h2-3,12H,4-5H2,1H3,(H,14,16)
InChIKeyGVZSRODZQICZCM-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.51
Rot. Bonds4

About N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958469) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958469
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1nccc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-15-6(2-3-13-15)14-7(16)4-12-5-8(9,10)11/h2-3,12H,4-5H2,1H3,(H,14,16)
InChIKeyGVZSRODZQICZCM-UHFFFAOYSA-N
XLogP0.51
TPSA58.95 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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-N-(2-methylpyrazol-3-yl)acetamide
CID 78923711
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958443
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942344
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
7-amino-N-(2-methylpyrazol-3-yl)heptanamide
CID 119708048
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
2,2-dimethyl-3-[(2-methylpyrazol-3-yl)amino]-3-oxopropanoic acid
CID 82820721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958469) is N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cn1nccc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GVZSRODZQICZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15-6(2-3-13-15)14-7(16)4-12-5-8(9,10)11/h2-3,12H,4-5H2,1H3,(H,14,16).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).