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

C11H20F3N3O — CID 144617155

IUPACethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3
InChIKeyNXVYQJCIARNQMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.75
Rot. Bonds1

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

ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 144617155) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID144617155
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Nameethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3
InChIKeyNXVYQJCIARNQMJ-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 144617155) is ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC.CC.CC(=O)Nc1n[nH]c(C(F)(F)F)c1C.
What is the InChIKey of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is NXVYQJCIARNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.2C2H6/c1-3-5(7(8,9)10)12-13-6(3)11-4(2)14;2*1-2/h1-2H3,(H2,11,12,13,14);2*1-2H3.
What are the key properties of ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 144617155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).