ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide

C10H16F3N3O2 — CID 144778765

IUPACethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC.CC(=O)NCc1c(C(F)(F)F)[nH]n(C)c1=O
InChIInChI=1S/C8H10F3N3O2.C2H6/c1-4(15)12-3-5-6(8(9,10)11)13-14(2)7(5)16;1-2/h13H,3H2,1-2H3,(H,12,15);1-2H3
InChIKeyPJZVBYFMJAQJQC-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.39
Rot. Bonds2

About ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide

ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 144778765) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID144778765
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Nameethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC.CC(=O)NCc1c(C(F)(F)F)[nH]n(C)c1=O
InChIInChI=1S/C8H10F3N3O2.C2H6/c1-4(15)12-3-5-6(8(9,10)11)13-14(2)7(5)16;1-2/h13H,3H2,1-2H3,(H,12,15);1-2H3
InChIKeyPJZVBYFMJAQJQC-UHFFFAOYSA-N
XLogP1.39
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide (CID 144778765) is ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide is CC.CC(=O)NCc1c(C(F)(F)F)[nH]n(C)c1=O.
What is the InChIKey of ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is PJZVBYFMJAQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2.C2H6/c1-4(15)12-3-5-6(8(9,10)11)13-14(2)7(5)16;1-2/h13H,3H2,1-2H3,(H,12,15);1-2H3.
What are the key properties of ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide?
ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 267.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 144778765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).