N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide

C9H12F3N3O — CID 19462619

IUPACN-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCn1ccc(C(C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15-5-4-7(14-15)6(2)13-8(16)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,16)
InChIKeyMWSYMSMZVGAUSZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.64
Rot. Bonds3

About N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 19462619) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID19462619
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCn1ccc(C(C)NC(=O)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-3-15-5-4-7(14-15)6(2)13-8(16)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,16)
InChIKeyMWSYMSMZVGAUSZ-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide (CID 19462619) is N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide is CCn1ccc(C(C)NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is MWSYMSMZVGAUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-15-5-4-7(14-15)6(2)13-8(16)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,16).
What are the key properties of N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 235.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-3-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19462619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).