N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide

C17H23N3O3 — CID 5298752

IUPACN-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C)c2C)cc1
InChIInChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)9-16(22)10-23-17-7-5-15(6-8-17)18-14(4)21/h5-8,16,22H,9-10H2,1-4H3,(H,18,21)
InChIKeyHTYZRLHIALAGLS-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.21
Rot. Bonds6

About N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide

N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide (PubChem CID 5298752) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide
PubChem CID5298752
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C)c2C)cc1
InChIInChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)9-16(22)10-23-17-7-5-15(6-8-17)18-14(4)21/h5-8,16,22H,9-10H2,1-4H3,(H,18,21)
InChIKeyHTYZRLHIALAGLS-UHFFFAOYSA-N
XLogP2.21
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]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 N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide (CID 5298752) is N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(C)c2C)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide?
The InChIKey is HTYZRLHIALAGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)9-16(22)10-23-17-7-5-15(6-8-17)18-14(4)21/h5-8,16,22H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide?
N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(3,4,5-trimethylpyrazol-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 5298752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).