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

C9H13F3N4O — CID 78963008

IUPACN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1cn[nH]c1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-16(5-7-2-14-15-3-7)8(17)4-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,15)
InChIKeyLYXONPPZEWWELZ-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.52
Rot. Bonds5

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

N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78963008) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78963008
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1cn[nH]c1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-16(5-7-2-14-15-3-7)8(17)4-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,15)
InChIKeyLYXONPPZEWWELZ-UHFFFAOYSA-N
XLogP0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876866
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876873
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876945
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54876993
2-[(1-methylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961949
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60891031
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60958787
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959976
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78963008) is N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1cn[nH]c1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LYXONPPZEWWELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-16(5-7-2-14-15-3-7)8(17)4-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,15).
What are the key properties of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78963008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).