2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone

C7H8F3N3O — CID 96862308

IUPAC2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
SMILESCNCC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-11-3-5(14)4-2-12-13-6(4)7(8,9)10/h2,11H,3H2,1H3,(H,12,13)
InChIKeyGYWXSFAWWHVGRR-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.83
Rot. Bonds3

About 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone

2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone (PubChem CID 96862308) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
PubChem CID96862308
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
SMILESCNCC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-11-3-5(14)4-2-12-13-6(4)7(8,9)10/h2,11H,3H2,1H3,(H,12,13)
InChIKeyGYWXSFAWWHVGRR-UHFFFAOYSA-N
XLogP0.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone (CID 96862308) is 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone is CNCC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone?
The InChIKey is GYWXSFAWWHVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-11-3-5(14)4-2-12-13-6(4)7(8,9)10/h2,11H,3H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone?
2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone has a molecular weight of 207.15 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 96862308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).