N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide

C9H12F3N3O — CID 19466889

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nn(C)cc1C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5(13-8(16)9(10,11)12)7-4-15(3)14-6(7)2/h4-5H,1-3H3,(H,13,16)
InChIKeyHOPDZQHENDBIGX-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.47
Rot. Bonds2

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 19466889) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID19466889
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESCc1nn(C)cc1C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5(13-8(16)9(10,11)12)7-4-15(3)14-6(7)2/h4-5H,1-3H3,(H,13,16)
InChIKeyHOPDZQHENDBIGX-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide (CID 19466889) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide is Cc1nn(C)cc1C(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is HOPDZQHENDBIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(13-8(16)9(10,11)12)7-4-15(3)14-6(7)2/h4-5H,1-3H3,(H,13,16).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 235.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).