2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide

C9H9ClF3N3O — CID 163220331

IUPAC2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCC(F)=C(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-6-3-15-16(4-6)5-8(17)14-2-1-7(11)9(12)13/h3-4H,1-2,5H2,(H,14,17)
InChIKeyGJPWLOUHIVPDMZ-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.12
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide

2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide (PubChem CID 163220331) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
PubChem CID163220331
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCC(F)=C(F)F
InChIInChI=1S/C9H9ClF3N3O/c10-6-3-15-16(4-6)5-8(17)14-2-1-7(11)9(12)13/h3-4H,1-2,5H2,(H,14,17)
InChIKeyGJPWLOUHIVPDMZ-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide 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 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide (CID 163220331) is 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide is O=C(Cn1cc(Cl)cn1)NCCC(F)=C(F)F.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide?
The InChIKey is GJPWLOUHIVPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-3-15-16(4-6)5-8(17)14-2-1-7(11)9(12)13/h3-4H,1-2,5H2,(H,14,17).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide has a molecular weight of 267.64 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide is sourced from PubChem (CID 163220331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).