N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide

C13H13ClFN3O2 — CID 91788679

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O2/c14-10-7-17-18(8-10)6-5-16-13(20)12(19)9-1-3-11(15)4-2-9/h1-4,7-8,12,19H,5-6H2,(H,16,20)
InChIKeyKCDXBFCSEGJVDX-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide (PubChem CID 91788679) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
PubChem CID91788679
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O2/c14-10-7-17-18(8-10)6-5-16-13(20)12(19)9-1-3-11(15)4-2-9/h1-4,7-8,12,19H,5-6H2,(H,16,20)
InChIKeyKCDXBFCSEGJVDX-UHFFFAOYSA-N
XLogP1.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide 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-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide (CID 91788679) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide is O=C(NCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The InChIKey is KCDXBFCSEGJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c14-10-7-17-18(8-10)6-5-16-13(20)12(19)9-1-3-11(15)4-2-9/h1-4,7-8,12,19H,5-6H2,(H,16,20).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide has a molecular weight of 297.72 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 91788679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).