N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide

C14H15ClFN3O2 — CID 91784531

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(21)13(20)10-2-4-12(16)5-3-10/h2-5,8-9,13,20H,1,6-7H2,(H,17,21)
InChIKeyAJLKXYUERSBFQN-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.92
Rot. Bonds6

About N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide (PubChem CID 91784531) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
PubChem CID91784531
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
SMILESO=C(NCCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(21)13(20)10-2-4-12(16)5-3-10/h2-5,8-9,13,20H,1,6-7H2,(H,17,21)
InChIKeyAJLKXYUERSBFQN-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide (CID 91784531) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide is O=C(NCCCn1cc(Cl)cn1)C(O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
The InChIKey is AJLKXYUERSBFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c15-11-8-18-19(9-11)7-1-6-17-14(21)13(20)10-2-4-12(16)5-3-10/h2-5,8-9,13,20H,1,6-7H2,(H,17,21).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide has a molecular weight of 311.74 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 91784531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).