N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H14F3N3O — CID 2780405

IUPACN,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-15(4-2)9(17)7-16-6-5-8(14-16)10(11,12)13/h5-6H,3-4,7H2,1-2H3
InChIKeyMSHIYOSDALHYAA-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.77
Rot. Bonds4

About N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2780405) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2780405
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-15(4-2)9(17)7-16-6-5-8(14-16)10(11,12)13/h5-6H,3-4,7H2,1-2H3
InChIKeyMSHIYOSDALHYAA-UHFFFAOYSA-N
XLogP1.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2780405) is N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCN(CC)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MSHIYOSDALHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-15(4-2)9(17)7-16-6-5-8(14-16)10(11,12)13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 249.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2780405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).